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

Systemtic Name: N-(4-acetamidophenyl)-2-[(5-azanyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-acetamidophenyl)-2-[(5-amino-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(4-acetamidophenyl)-2-[(5-amino-4-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-acetamidophenyl)-2-[(5-amino-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-acetamidophenyl)-2-[(5-amino-4-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C18H18N6O2S MolecularWeight: 382.43952

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)N

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)N

InChI

InChI=1S/C18H18N6O2S/c1-12(25)20-13-7-9-14(10-8-13)21-16(26)11-27-18-23-22-17(19)24(18)15-5-3-2-4-6-15/h2-10H,11H2,1H3,(H2,19,22)(H,20,25)(H,21,26)