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

Systemtic Name: N-(2-chloranyl-4-methyl-phenyl)-2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: 2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloro-4-methyl-phenyl)propanamide CAS Name: N-(2-chloro-4-methylphenyl)-2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(2-chloro-4-methylphenyl)-2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: 2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(2-chloro-4-methyl-phenyl)propionamide Formula: C18H21ClN4OS MolecularWeight: 376.90354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)SC2=NN=C(N2CC=C)C3CC3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(C)SC2=NN=C(N2CC=C)C3CC3)Cl

InChI

InChI=1S/C18H21ClN4OS/c1-4-9-23-16(13-6-7-13)21-22-18(23)25-12(3)17(24)20-15-8-5-11(2)10-14(15)19/h4-5,8,10,12-13H,1,6-7,9H2,2-3H3,(H,20,24)