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

Systemtic Name: N-[[5-[(3-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]cyclohexanecarboxamide Openeye Name: N-[[4-allyl-5-(m-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]cyclohexanecarboxamide CAS Name: N-[[5-[(3-methylphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]cyclohexanecarboxamide IUPAC Name: N-[[5-[(3-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]cyclohexanecarboxamide Traditional Name: N-[[4-allyl-5-[(3-methylbenzyl)thio]-1,2,4-triazol-3-yl]methyl]cyclohexanecarboxamide Formula: C21H28N4OS MolecularWeight: 384.53822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NN=C(N2CC=C)CNC(=O)C3CCCCC3

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NN=C(N2CC=C)CNC(=O)C3CCCCC3

InChI

InChI=1S/C21H28N4OS/c1-3-12-25-19(14-22-20(26)18-10-5-4-6-11-18)23-24-21(25)27-15-17-9-7-8-16(2)13-17/h3,7-9,13,18H,1,4-6,10-12,14-15H2,2H3,(H,22,26)