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

Systemtic Name: 3-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-(phenylmethyl)-1,2,4-triazol-3-yl]pyridine Openeye Name: 3-[4-benzyl-5-[(4-tert-butylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine CAS Name: 3-[5-[(4-tert-butylphenyl)methylthio]-4-(phenylmethyl)-1,2,4-triazol-3-yl]pyridine IUPAC Name: 3-[4-benzyl-5-[(4-tert-butylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine Traditional Name: 3-[4-benzyl-5-[(4-tert-butylbenzyl)thio]-1,2,4-triazol-3-yl]pyridine Formula: C25H26N4S MolecularWeight: 414.56574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C25H26N4S/c1-25(2,3)22-13-11-20(12-14-22)18-30-24-28-27-23(21-10-7-15-26-16-21)29(24)17-19-8-5-4-6-9-19/h4-16H,17-18H2,1-3H3