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

Systemtic Name: 3-[5-[(2-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine Openeye Name: 3-[4-allyl-5-(o-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine CAS Name: 3-[5-[(2-methylphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine IUPAC Name: 3-[5-[(2-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine Traditional Name: 3-[4-allyl-5-[(2-methylbenzyl)thio]-1,2,4-triazol-3-yl]pyridine Formula: C18H18N4S MolecularWeight: 322.42732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NN=C(N2CC=C)C3=CN=CC=C3

Isomeric SMILES

CC1=CC=CC=C1CSC2=NN=C(N2CC=C)C3=CN=CC=C3

InChI

InChI=1S/C18H18N4S/c1-3-11-22-17(15-9-6-10-19-12-15)20-21-18(22)23-13-16-8-5-4-7-14(16)2/h3-10,12H,1,11,13H2,2H3