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

Systemtic Name: 3-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(3-fluoranyl-4-methoxy-phenyl)benzamide Openeye Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(3-fluoro-4-methoxy-phenyl)benzamide CAS Name: 3-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-N-(3-fluoro-4-methoxyphenyl)benzamide IUPAC Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(3-fluoro-4-methoxyphenyl)benzamide Traditional Name: 3-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-N-(3-fluoro-4-methoxy-phenyl)benzamide Formula: C17H16FN5O2S MolecularWeight: 373.404643

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)CSC3=NNC(=N3)N)F

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)CSC3=NNC(=N3)N)F

InChI

InChI=1S/C17H16FN5O2S/c1-25-14-6-5-12(8-13(14)18)20-15(24)11-4-2-3-10(7-11)9-26-17-21-16(19)22-23-17/h2-8H,9H2,1H3,(H,20,24)(H3,19,21,22,23)