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

Systemtic Name: 2-(4-methylphenyl)-4-[5-(2-methylpropylsulfanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]quinoline Openeye Name: 4-(4-allyl-5-isobutylsulfanyl-1,2,4-triazol-3-yl)-2-(p-tolyl)quinoline CAS Name: 2-(4-methylphenyl)-4-[5-(2-methylpropylthio)-4-prop-2-enyl-1,2,4-triazol-3-yl]quinoline IUPAC Name: 2-(4-methylphenyl)-4-[5-(2-methylpropylsulfanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]quinoline Traditional Name: 4-[4-allyl-5-(isobutylthio)-1,2,4-triazol-3-yl]-2-(p-tolyl)quinoline Formula: C25H26N4S MolecularWeight: 414.56574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=NN=C(N4CC=C)SCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=NN=C(N4CC=C)SCC(C)C

InChI

InChI=1S/C25H26N4S/c1-5-14-29-24(27-28-25(29)30-16-17(2)3)21-15-23(19-12-10-18(4)11-13-19)26-22-9-7-6-8-20(21)22/h5-13,15,17H,1,14,16H2,2-4H3