N-(3-chloranyl-4-methoxy-phenyl)-2-phenyl-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-2-phenyl-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanyl-acetamide CAS Name: N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-[(1-phenyl-5-tetrazolyl)thio]acetamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-2-phenyl-2-[(1-phenyltetrazol-5-yl)thio]acetamide Formula: C22H18ClN5O2S MolecularWeight: 451.92862

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=NN=NN3C4=CC=CC=C4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=NN=NN3C4=CC=CC=C4)Cl

InChI

InChI=1S/C22H18ClN5O2S/c1-30-19-13-12-16(14-18(19)23)24-21(29)20(15-8-4-2-5-9-15)31-22-25-26-27-28(22)17-10-6-3-7-11-17/h2-14,20H,1H3,(H,24,29)