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

Systemtic Name: 3-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(3-methoxy-4-phenyl-phenyl)benzamide Openeye Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(3-methoxy-4-phenyl-phenyl)benzamide CAS Name: 3-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-N-(3-methoxy-4-phenylphenyl)benzamide IUPAC Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(3-methoxy-4-phenylphenyl)benzamide Traditional Name: 3-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-N-(3-methoxy-4-phenyl-phenyl)benzamide Formula: C23H21N5O2S MolecularWeight: 431.51014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=O)C2=CC(=CC=C2)CSC3=NNC(=N3)N)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=O)C2=CC(=CC=C2)CSC3=NNC(=N3)N)C4=CC=CC=C4

InChI

InChI=1S/C23H21N5O2S/c1-30-20-13-18(10-11-19(20)16-7-3-2-4-8-16)25-21(29)17-9-5-6-15(12-17)14-31-23-26-22(24)27-28-23/h2-13H,14H2,1H3,(H,25,29)(H3,24,26,27,28)