2-[[4-(2-methoxyphenyl)-5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-1,3-benzothiazol-5-yl)ethanamide

Systemtic Name: 2-[[4-(2-methoxyphenyl)-5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-1,3-benzothiazol-5-yl)ethanamide Openeye Name: 2-[[4-(2-methoxyphenyl)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-1,3-benzothiazol-5-yl)acetamide CAS Name: 2-[[4-(2-methoxyphenyl)-5-(6-oxo-1-cyclohexa-2,4-dienylidene)-1H-1,2,4-triazol-3-yl]thio]-N-(2-methyl-1,3-benzothiazol-5-yl)acetamide IUPAC Name: 2-[[4-(2-methoxyphenyl)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-1,3-benzothiazol-5-yl)acetamide Traditional Name: 2-[[5-(6-ketocyclohexa-2,4-dien-1-ylidene)-4-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(2-methyl-1,3-benzothiazol-5-yl)acetamide Formula: C25H21N5O3S2 MolecularWeight: 503.59594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=CC(=C2)NC(=O)CSC3=NNC(=C4C=CC=CC4=O)N3C5=CC=CC=C5OC

Isomeric SMILES

CC1=NC2=C(S1)C=CC(=C2)NC(=O)CSC3=NNC(=C4C=CC=CC4=O)N3C5=CC=CC=C5OC

InChI

InChI=1S/C25H21N5O3S2/c1-15-26-18-13-16(11-12-22(18)35-15)27-23(32)14-34-25-29-28-24(17-7-3-5-9-20(17)31)30(25)19-8-4-6-10-21(19)33-2/h3-13,28H,14H2,1-2H3,(H,27,32)