4-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-phenyl-benzamide

Systemtic Name: 4-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-phenyl-benzamide Openeye Name: 4-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-phenyl-benzamide CAS Name: 4-[[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-N-phenylbenzamide IUPAC Name: 4-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-phenylbenzamide Traditional Name: 4-[[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-N-phenyl-benzamide Formula: C23H26N4OS MolecularWeight: 406.54374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CCCCC2)SCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=NN=C(N1C2CCCCC2)SCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C23H26N4OS/c1-17-25-26-23(27(17)21-10-6-3-7-11-21)29-16-18-12-14-19(15-13-18)22(28)24-20-8-4-2-5-9-20/h2,4-5,8-9,12-15,21H,3,6-7,10-11,16H2,1H3,(H,24,28)