5-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanyl-1H-1,2,4-triazole

Systemtic Name: 5-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanyl-1H-1,2,4-triazole Openeye Name: 5-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanyl-1H-1,2,4-triazole CAS Name: 5-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)thio]-1H-1,2,4-triazole IUPAC Name: 5-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanyl-1H-1,2,4-triazole Traditional Name: 5-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)thio]-1H-1,2,4-triazole Formula: C13H13N5S MolecularWeight: 271.34082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)SC3=NC=NN3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)SC3=NC=NN3

InChI

InChI=1S/C13H13N5S/c1-9-12(19-13-14-8-15-16-13)10(2)18(17-9)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,14,15,16)