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

Systemtic Name: 4-methyl-3-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)-5-propan-2-ylsulfanyl-1,2,4-triazole Openeye Name: 3-isopropylsulfanyl-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-(propan-2-ylthio)-1,2,4-triazole IUPAC Name: 4-methyl-3-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)-5-propan-2-ylsulfanyl-1,2,4-triazole Traditional Name: 3-(isopropylthio)-4-methyl-5-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)-1,2,4-triazole Formula: C19H20N6S MolecularWeight: 364.4673

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NN=C(N1C)C2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4

Isomeric SMILES

CC(C)SC1=NN=C(N1C)C2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4

InChI

InChI=1S/C19H20N6S/c1-14(2)26-19-22-21-17(23(19)3)16-13-20-25(15-9-5-4-6-10-15)18(16)24-11-7-8-12-24/h4-14H,1-3H3