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

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-2-[(5-phenethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-allyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloro-2-methyl-phenyl)acetamide CAS Name: N-(3-chloro-2-methylphenyl)-2-[(5-phenethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3-chloro-2-methylphenyl)-2-[(5-phenethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-allyl-5-phenethyl-1,2,4-triazol-3-yl)thio]-N-(3-chloro-2-methyl-phenyl)acetamide Formula: C22H23ClN4OS MolecularWeight: 426.96222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CSC2=NN=C(N2CC=C)CCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CSC2=NN=C(N2CC=C)CCC3=CC=CC=C3

InChI

InChI=1S/C22H23ClN4OS/c1-3-14-27-20(13-12-17-8-5-4-6-9-17)25-26-22(27)29-15-21(28)24-19-11-7-10-18(23)16(19)2/h3-11H,1,12-15H2,2H3,(H,24,28)