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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2CC=C)C3=CN=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2CC=C)C3=CN=CC=C3

InChI

InChI=1S/C21H24N4S/c1-5-13-25-19(17-7-6-12-22-14-17)23-24-20(25)26-15-16-8-10-18(11-9-16)21(2,3)4/h5-12,14H,1,13,15H2,2-4H3