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

Systemtic Name: 4-[3-cyclopropyl-5-[(4-methylphenyl)-phenyl-methyl]sulfanyl-1,2,4-triazol-4-yl]-N,N-dimethyl-aniline Openeye Name: 4-[3-cyclopropyl-5-[phenyl(p-tolyl)methyl]sulfanyl-1,2,4-triazol-4-yl]-N,N-dimethyl-aniline CAS Name: 4-[3-cyclopropyl-5-[[(4-methylphenyl)-phenylmethyl]thio]-1,2,4-triazol-4-yl]-N,N-dimethylaniline IUPAC Name: 4-[3-cyclopropyl-5-[(4-methylphenyl)-phenylmethyl]sulfanyl-1,2,4-triazol-4-yl]-N,N-dimethylaniline Traditional Name: [4-[3-cyclopropyl-5-[[phenyl(p-tolyl)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=C(C=C1)C(C2=CC=CC=C2)SC3=NN=C(N3C4=CC=C(C=C4)N(C)C)C5CC5

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC=CC=C2)SC3=NN=C(N3C4=CC=C(C=C4)N(C)C)C5CC5

InChI

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