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

Systemtic Name: N-(4-acetamidophenyl)-2-[(4-azanyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-acetamidophenyl)-2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-acetamidophenyl)-2-[[4-amino-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-acetamidophenyl)-2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-acetamidophenyl)-2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C17H17N7O2S MolecularWeight: 383.42758

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=CN=CC=C3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=CN=CC=C3

InChI

InChI=1S/C17H17N7O2S/c1-11(25)20-13-4-6-14(7-5-13)21-15(26)10-27-17-23-22-16(24(17)18)12-3-2-8-19-9-12/h2-9H,10,18H2,1H3,(H,20,25)(H,21,26)