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

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-2-[(5-cyclopentyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-allyl-5-cyclopentyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloro-2-methoxy-phenyl)acetamide CAS Name: N-(5-chloro-2-methoxyphenyl)-2-[(5-cyclopentyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-2-[(5-cyclopentyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-allyl-5-cyclopentyl-1,2,4-triazol-3-yl)thio]-N-(5-chloro-2-methoxy-phenyl)acetamide Formula: C19H23ClN4O2S MolecularWeight: 406.92952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NN=C(N2CC=C)C3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NN=C(N2CC=C)C3CCCC3

InChI

InChI=1S/C19H23ClN4O2S/c1-3-10-24-18(13-6-4-5-7-13)22-23-19(24)27-12-17(25)21-15-11-14(20)8-9-16(15)26-2/h3,8-9,11,13H,1,4-7,10,12H2,2H3,(H,21,25)