4-[3-cyclopropyl-5-[(2-methylphenyl)-phenyl-methyl]sulfanyl-1,2,4-triazol-4-yl]-N,N-dimethyl-aniline

Systemtic Name: 4-[3-cyclopropyl-5-[(2-methylphenyl)-phenyl-methyl]sulfanyl-1,2,4-triazol-4-yl]-N,N-dimethyl-aniline Openeye Name: 4-[3-cyclopropyl-5-[o-tolyl(phenyl)methyl]sulfanyl-1,2,4-triazol-4-yl]-N,N-dimethyl-aniline CAS Name: 4-[3-cyclopropyl-5-[[(2-methylphenyl)-phenylmethyl]thio]-1,2,4-triazol-4-yl]-N,N-dimethylaniline IUPAC Name: 4-[3-cyclopropyl-5-[(2-methylphenyl)-phenylmethyl]sulfanyl-1,2,4-triazol-4-yl]-N,N-dimethylaniline Traditional Name: [4-[3-cyclopropyl-5-[[o-tolyl(phenyl)methyl]thio]-1,2,4-triazol-4-yl]phenyl]-dimethyl-amine Formula: C27H28N4S MolecularWeight: 440.60302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CC=CC=C2)SC3=NN=C(N3C4=CC=C(C=C4)N(C)C)C5CC5

Isomeric SMILES

CC1=CC=CC=C1C(C2=CC=CC=C2)SC3=NN=C(N3C4=CC=C(C=C4)N(C)C)C5CC5

InChI

InChI=1S/C27H28N4S/c1-19-9-7-8-12-24(19)25(20-10-5-4-6-11-20)32-27-29-28-26(21-13-14-21)31(27)23-17-15-22(16-18-23)30(2)3/h4-12,15-18,21,25H,13-14H2,1-3H3