4-[(E)-(5-nitrothiophen-2-yl)methylideneamino]-3-pyrimidin-2-yl-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[(E)-(5-nitrothiophen-2-yl)methylideneamino]-3-pyrimidin-2-yl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(E)-(5-nitro-2-thienyl)methyleneamino]-3-pyrimidin-2-yl-1H-1,2,4-triazole-5-thione CAS Name: 4-[(E)-(5-nitro-2-thiophenyl)methylideneamino]-3-(2-pyrimidinyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(E)-(5-nitrothiophen-2-yl)methylideneamino]-3-pyrimidin-2-yl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(E)-(5-nitro-2-thienyl)methyleneamino]-3-(2-pyrimidyl)-1H-1,2,4-triazole-5-thione Formula: C11H7N7O2S2 MolecularWeight: 333.34898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)C2=NNC(=S)N2N=CC3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

C1=CN=C(N=C1)C2=NNC(=S)N2/N=C/C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C11H7N7O2S2/c19-18(20)8-3-2-7(22-8)6-14-17-10(15-16-11(17)21)9-12-4-1-5-13-9/h1-6H,(H,16,21)/b14-6+