5-[(E)-2-(2-methylphenyl)ethenyl]-3-propan-2-ylsulfanyl-1H-1,2,4-triazole

Systemtic Name: 5-[(E)-2-(2-methylphenyl)ethenyl]-3-propan-2-ylsulfanyl-1H-1,2,4-triazole Openeye Name: 3-isopropylsulfanyl-5-[(E)-2-(o-tolyl)vinyl]-1H-1,2,4-triazole CAS Name: 5-[(E)-2-(2-methylphenyl)ethenyl]-3-(propan-2-ylthio)-1H-1,2,4-triazole IUPAC Name: 5-[(E)-2-(2-methylphenyl)ethenyl]-3-propan-2-ylsulfanyl-1H-1,2,4-triazole Traditional Name: 3-(isopropylthio)-5-[(E)-2-(o-tolyl)vinyl]-1H-1,2,4-triazole Formula: C14H17N3S MolecularWeight: 259.36988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=CC2=NC(=NN2)SC(C)C

Isomeric SMILES

CC1=CC=CC=C1/C=C/C2=NC(=NN2)SC(C)C

InChI

InChI=1S/C14H17N3S/c1-10(2)18-14-15-13(16-17-14)9-8-12-7-5-4-6-11(12)3/h4-10H,1-3H3,(H,15,16,17)/b9-8+