4-[(Z)-(4-ethyl-3-nitro-phenyl)methylideneamino]-3-(phenylmethylsulfanyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[(Z)-(4-ethyl-3-nitro-phenyl)methylideneamino]-3-(phenylmethylsulfanyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-benzylsulfanyl-4-[(Z)-(4-ethyl-3-nitro-phenyl)methyleneamino]-1H-1,2,4-triazole-5-thione CAS Name: 4-[(Z)-(4-ethyl-3-nitrophenyl)methylideneamino]-3-(phenylmethylthio)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-benzylsulfanyl-4-[(Z)-(4-ethyl-3-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Traditional Name: 3-(benzylthio)-4-[(Z)-(4-ethyl-3-nitro-benzylidene)amino]-1H-1,2,4-triazole-5-thione Formula: C18H17N5O2S2 MolecularWeight: 399.48988

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C=NN2C(=S)NN=C2SCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=C(C=C1)/C=N\N2C(=S)NN=C2SCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O2S2/c1-2-15-9-8-14(10-16(15)23(24)25)11-19-22-17(26)20-21-18(22)27-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H,20,26)/b19-11-