4-methyl-3-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)-5-prop-2-enylsulfanyl-1,2,4-triazole

Systemtic Name: 4-methyl-3-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)-5-prop-2-enylsulfanyl-1,2,4-triazole Openeye Name: 3-allylsulfanyl-4-methyl-5-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)-1,2,4-triazole CAS Name: 4-methyl-3-[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]-5-(prop-2-enylthio)-1,2,4-triazole IUPAC Name: 4-methyl-3-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)-5-prop-2-enylsulfanyl-1,2,4-triazole Traditional Name: 3-(allylthio)-4-methyl-5-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)-1,2,4-triazole Formula: C19H18N6S MolecularWeight: 362.45142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC=C)C2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4

Isomeric SMILES

CN1C(=NN=C1SCC=C)C2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4

InChI

InChI=1S/C19H18N6S/c1-3-13-26-19-22-21-17(23(19)2)16-14-20-25(15-9-5-4-6-10-15)18(16)24-11-7-8-12-24/h3-12,14H,1,13H2,2H3