3-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(4-ethoxyphenyl)benzamide

Systemtic Name: 3-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(4-ethoxyphenyl)benzamide Openeye Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(4-ethoxyphenyl)benzamide CAS Name: 3-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-N-(4-ethoxyphenyl)benzamide IUPAC Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(4-ethoxyphenyl)benzamide Traditional Name: 3-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-N-p-phenetyl-benzamide Formula: C18H19N5O2S MolecularWeight: 369.44076

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)CSC3=NNC(=N3)N

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)CSC3=NNC(=N3)N

InChI

InChI=1S/C18H19N5O2S/c1-2-25-15-8-6-14(7-9-15)20-16(24)13-5-3-4-12(10-13)11-26-18-21-17(19)22-23-18/h3-10H,2,11H2,1H3,(H,20,24)(H3,19,21,22,23)