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

Systemtic Name: 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]benzamide CAS Name: N-[1-[5-[(4-methylphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]benzamide IUPAC Name: 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]benzamide Formula: C22H24N4OS MolecularWeight: 392.51716

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4OS/c1-4-14-26-20(17(3)23-21(27)19-8-6-5-7-9-19)24-25-22(26)28-15-18-12-10-16(2)11-13-18/h4-13,17H,1,14-15H2,2-3H3,(H,23,27)