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

Systemtic Name: 3-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]pyridine Openeye Name: 3-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]pyridine CAS Name: 3-[5-[(4-tert-butylphenyl)methylthio]-4-cyclopropyl-1,2,4-triazol-3-yl]pyridine IUPAC Name: 3-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]pyridine Traditional Name: 3-[5-[(4-tert-butylbenzyl)thio]-4-cyclopropyl-1,2,4-triazol-3-yl]pyridine Formula: C21H24N4S MolecularWeight: 364.50706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2C3CC3)C4=CN=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2C3CC3)C4=CN=CC=C4

InChI

InChI=1S/C21H24N4S/c1-21(2,3)17-8-6-15(7-9-17)14-26-20-24-23-19(25(20)18-10-11-18)16-5-4-12-22-13-16/h4-9,12-13,18H,10-11,14H2,1-3H3