3-methyl-N-[1-[5-[(4-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]benzamide

Systemtic Name: 3-methyl-N-[1-[5-[(4-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]benzamide Openeye Name: N-[1-[4-allyl-5-(p-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-3-methyl-benzamide CAS Name: 3-methyl-N-[1-[5-[(4-methylphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]benzamide IUPAC Name: 3-methyl-N-[1-[5-[(4-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]benzamide Traditional Name: N-[1-[4-allyl-5-[(4-methylbenzyl)thio]-1,2,4-triazol-3-yl]ethyl]-3-methyl-benzamide Formula: C23H26N4OS MolecularWeight: 406.54374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NN=C(N2CC=C)C(C)NC(=O)C3=CC(=CC=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NN=C(N2CC=C)C(C)NC(=O)C3=CC(=CC=C3)C

InChI

InChI=1S/C23H26N4OS/c1-5-13-27-21(18(4)24-22(28)20-8-6-7-17(3)14-20)25-26-23(27)29-15-19-11-9-16(2)10-12-19/h5-12,14,18H,1,13,15H2,2-4H3,(H,24,28)