4-(3-bromanyl-4-methyl-phenyl)-5-(5-cyclopropyl-1H-pyrazol-3-yl)-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(3-bromanyl-4-methyl-phenyl)-5-(5-cyclopropyl-1H-pyrazol-3-yl)-1,2,4-triazole-3-thiolate Openeye Name: 4-(3-bromo-4-methyl-phenyl)-5-(5-cyclopropyl-1H-pyrazol-3-yl)-1,2,4-triazole-3-thiolate CAS Name: 4-(3-bromo-4-methylphenyl)-5-(5-cyclopropyl-1H-pyrazol-3-yl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-(3-bromo-4-methylphenyl)-5-(5-cyclopropyl-1H-pyrazol-3-yl)-1,2,4-triazole-3-thiolate Traditional Name: 4-(3-bromo-4-methyl-phenyl)-5-(5-cyclopropyl-1H-pyrazol-3-yl)-1,2,4-triazole-3-thiolate Formula: C15H13BrN5S- MolecularWeight: 375.26622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=C2[S-])C3=NNC(=C3)C4CC4)Br

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=C2[S-])C3=NNC(=C3)C4CC4)Br

InChI

InChI=1S/C15H14BrN5S/c1-8-2-5-10(6-11(8)16)21-14(19-20-15(21)22)13-7-12(17-18-13)9-3-4-9/h2,5-7,9H,3-4H2,1H3,(H,17,18)(H,20,22)/p-1