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

Systemtic Name: 2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-N-methyl-ethanamide Openeye Name: 2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-N-methyl-acetamide CAS Name: 2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylacetamide IUPAC Name: 2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylacetamide Traditional Name: 2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(4,5-dimethoxy-2-methyl-benzyl)-N-methyl-acetamide Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CN(C)C(=O)CSC2=NN=C(N2CC=C)C3CC3)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CN(C)C(=O)CSC2=NN=C(N2CC=C)C3CC3)OC)OC

InChI

InChI=1S/C21H28N4O3S/c1-6-9-25-20(15-7-8-15)22-23-21(25)29-13-19(26)24(3)12-16-11-18(28-5)17(27-4)10-14(16)2/h6,10-11,15H,1,7-9,12-13H2,2-5H3