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

Systemtic Name: 2-[(4-azanyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(phenylmethyl)ethanamide Openeye Name: 2-[[4-amino-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-benzyl-acetamide CAS Name: 2-[(4-amino-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-N-(phenylmethyl)acetamide IUPAC Name: 2-[(4-amino-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-benzylacetamide Traditional Name: 2-[[4-amino-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-benzyl-acetamide Formula: C16H16N6OS MolecularWeight: 340.40284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N6OS/c17-22-15(13-6-8-18-9-7-13)20-21-16(22)24-11-14(23)19-10-12-4-2-1-3-5-12/h1-9H,10-11,17H2,(H,19,23)