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

Systemtic Name: 4-methyl-3-methylsulfanyl-5-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)-1,2,4-triazole Openeye Name: 4-methyl-3-methylsulfanyl-5-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)-1,2,4-triazole CAS Name: 4-methyl-3-(methylthio)-5-[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]-1,2,4-triazole IUPAC Name: 4-methyl-3-methylsulfanyl-5-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)-1,2,4-triazole Traditional Name: 4-methyl-3-(methylthio)-5-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)-1,2,4-triazole Formula: C17H16N6S MolecularWeight: 336.41414

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC)C2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4

Isomeric SMILES

CN1C(=NN=C1SC)C2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4

InChI

InChI=1S/C17H16N6S/c1-21-15(19-20-17(21)24-2)14-12-18-23(13-8-4-3-5-9-13)16(14)22-10-6-7-11-22/h3-12H,1-2H3