2-[[4-azanyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-oxidanylidene-1-phenyl-butan-2-yl)ethanamide

Systemtic Name: 2-[[4-azanyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-oxidanylidene-1-phenyl-butan-2-yl)ethanamide Openeye Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-benzyl-2-oxo-propyl)acetamide CAS Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(3-oxo-1-phenylbutan-2-yl)acetamide IUPAC Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-oxo-1-phenylbutan-2-yl)acetamide Traditional Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(1-benzyl-2-keto-propyl)acetamide Formula: C21H23N5O3S MolecularWeight: 425.50402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC=CC=C1)NC(=O)CSC2=NN=C(N2N)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(=O)C(CC1=CC=CC=C1)NC(=O)CSC2=NN=C(N2N)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H23N5O3S/c1-14(27)18(12-15-6-4-3-5-7-15)23-19(28)13-30-21-25-24-20(26(21)22)16-8-10-17(29-2)11-9-16/h3-11,18H,12-13,22H2,1-2H3,(H,23,28)