4-[3-(4-tert-butylphenyl)-5-[(phenylmethyl)disulfanyl]-1,2,4-triazol-4-yl]piperidine

Systemtic Name: 4-[3-(4-tert-butylphenyl)-5-[(phenylmethyl)disulfanyl]-1,2,4-triazol-4-yl]piperidine Openeye Name: 4-[3-(benzyldisulfanyl)-5-(4-tert-butylphenyl)-1,2,4-triazol-4-yl]piperidine CAS Name: 4-[3-(4-tert-butylphenyl)-5-[(phenylmethyl)disulfanyl]-1,2,4-triazol-4-yl]piperidine IUPAC Name: 4-[3-(benzyldisulfanyl)-5-(4-tert-butylphenyl)-1,2,4-triazol-4-yl]piperidine Traditional Name: 4-[3-(benzyldisulfanyl)-5-(4-tert-butylphenyl)-1,2,4-triazol-4-yl]piperidine Formula: C24H30N4S2 MolecularWeight: 438.6518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3CCNCC3)SSCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3CCNCC3)SSCC4=CC=CC=C4

InChI

InChI=1S/C24H30N4S2/c1-24(2,3)20-11-9-19(10-12-20)22-26-27-23(28(22)21-13-15-25-16-14-21)30-29-17-18-7-5-4-6-8-18/h4-12,21,25H,13-17H2,1-3H3