N-(3-chloranyl-4-methoxy-phenyl)-2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-ethanamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-ethanamide Openeye Name: 2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloro-4-methoxy-phenyl)-2-phenyl-acetamide CAS Name: N-(3-chloro-4-methoxyphenyl)-2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-2-phenylacetamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetamide Traditional Name: 2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(3-chloro-4-methoxy-phenyl)-2-phenyl-acetamide Formula: C23H23ClN4O2S MolecularWeight: 454.97232

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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=C(N3CC=C)C4CC4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=NN=C(N3CC=C)C4CC4)Cl

InChI

InChI=1S/C23H23ClN4O2S/c1-3-13-28-21(16-9-10-16)26-27-23(28)31-20(15-7-5-4-6-8-15)22(29)25-17-11-12-19(30-2)18(24)14-17/h3-8,11-12,14,16,20H,1,9-10,13H2,2H3,(H,25,29)