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

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloro-2-methoxy-phenyl)acetamide CAS Name: N-(5-chloro-2-methoxyphenyl)-2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(5-chloro-2-methoxy-phenyl)acetamide Formula: C17H19ClN4O2S MolecularWeight: 378.87636

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NN=C(N2CC=C)C3CC3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NN=C(N2CC=C)C3CC3

InChI

InChI=1S/C17H19ClN4O2S/c1-3-8-22-16(11-4-5-11)20-21-17(22)25-10-15(23)19-13-9-12(18)6-7-14(13)24-2/h3,6-7,9,11H,1,4-5,8,10H2,2H3,(H,19,23)