4-[3-cyclobutyl-5-(diphenylmethyl)sulfanyl-1,2,4-triazol-4-yl]-N,N-dimethyl-aniline

Systemtic Name: 4-[3-cyclobutyl-5-(diphenylmethyl)sulfanyl-1,2,4-triazol-4-yl]-N,N-dimethyl-aniline Openeye Name: 4-(3-benzhydrylsulfanyl-5-cyclobutyl-1,2,4-triazol-4-yl)-N,N-dimethyl-aniline CAS Name: 4-[3-cyclobutyl-5-[(diphenylmethyl)thio]-1,2,4-triazol-4-yl]-N,N-dimethylaniline IUPAC Name: 4-(3-benzhydrylsulfanyl-5-cyclobutyl-1,2,4-triazol-4-yl)-N,N-dimethylaniline Traditional Name: [4-[3-(benzhydrylthio)-5-cyclobutyl-1,2,4-triazol-4-yl]phenyl]-dimethyl-amine Formula: C27H28N4S MolecularWeight: 440.60302

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)N2C(=NN=C2SC(C3=CC=CC=C3)C4=CC=CC=C4)C5CCC5

Isomeric SMILES

CN(C)C1=CC=C(C=C1)N2C(=NN=C2SC(C3=CC=CC=C3)C4=CC=CC=C4)C5CCC5

InChI

InChI=1S/C27H28N4S/c1-30(2)23-16-18-24(19-17-23)31-26(22-14-9-15-22)28-29-27(31)32-25(20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-8,10-13,16-19,22,25H,9,14-15H2,1-2H3