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

Systemtic Name: 2-[3-azanyl-5-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-1,2,4-triazol-4-yl]-N-phenyl-ethanamide Openeye Name: 2-[3-amino-5-(2-anilino-2-oxo-ethyl)sulfanyl-1,2,4-triazol-4-yl]-N-phenyl-acetamide CAS Name: 2-[3-amino-5-[(2-anilino-2-oxoethyl)thio]-1,2,4-triazol-4-yl]-N-phenylacetamide IUPAC Name: 2-[3-amino-5-(2-anilino-2-oxoethyl)sulfanyl-1,2,4-triazol-4-yl]-N-phenylacetamide Traditional Name: 2-[3-amino-5-[(2-anilino-2-keto-ethyl)thio]-1,2,4-triazol-4-yl]-N-phenyl-acetamide Formula: C18H18N6O2S MolecularWeight: 382.43952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CN2C(=NN=C2SCC(=O)NC3=CC=CC=C3)N

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CN2C(=NN=C2SCC(=O)NC3=CC=CC=C3)N

InChI

InChI=1S/C18H18N6O2S/c19-17-22-23-18(27-12-16(26)21-14-9-5-2-6-10-14)24(17)11-15(25)20-13-7-3-1-4-8-13/h1-10H,11-12H2,(H2,19,22)(H,20,25)(H,21,26)