2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: 2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide CAS Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)propionamide Formula: C21H22N6OS2 MolecularWeight: 438.56898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(C)N3C(=NN=C3SCCC4=CC=CC=C4)N

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(C)N3C(=NN=C3SCCC4=CC=CC=C4)N

InChI

InChI=1S/C21H22N6OS2/c1-13-8-9-16-17(12-13)30-20(23-16)24-18(28)14(2)27-19(22)25-26-21(27)29-11-10-15-6-4-3-5-7-15/h3-9,12,14H,10-11H2,1-2H3,(H2,22,25)(H,23,24,28)