3-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine

Systemtic Name: 3-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-[(4-nitrophenyl)methylsulfanyl]-5-[3-(p-tolyl)-1H-pyrazol-5-yl]-1,2,4-triazol-4-amine CAS Name: 3-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-5-[(4-nitrophenyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-[(4-nitrobenzyl)thio]-5-[3-(p-tolyl)-1H-pyrazol-5-yl]-1,2,4-triazol-4-yl]amine Formula: C19H17N7O2S MolecularWeight: 407.44898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=C2)C3=NN=C(N3N)SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=C2)C3=NN=C(N3N)SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H17N7O2S/c1-12-2-6-14(7-3-12)16-10-17(22-21-16)18-23-24-19(25(18)20)29-11-13-4-8-15(9-5-13)26(27)28/h2-10H,11,20H2,1H3,(H,21,22)