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

Systemtic Name: 3-[(4-nitrophenyl)methylsulfanyl]-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-4-amine Openeye Name: 3-[(4-nitrophenyl)methylsulfanyl]-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-4-amine CAS Name: 3-[(4-nitrophenyl)methylthio]-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(4-nitrophenyl)methylsulfanyl]-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-4-amine Traditional Name: [3-[(4-nitrobenzyl)thio]-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-4-yl]amine Formula: C18H15N7O2S MolecularWeight: 393.4224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N7O2S/c19-24-17(16-10-15(20-21-16)13-4-2-1-3-5-13)22-23-18(24)28-11-12-6-8-14(9-7-12)25(26)27/h1-10H,11,19H2,(H,20,21)