[1-[(2,4-dinitrophenyl)amino]-1,2,3-triazol-4-yl]-morpholin-4-yl-methanethione

Systemtic Name: [1-[(2,4-dinitrophenyl)amino]-1,2,3-triazol-4-yl]-morpholin-4-yl-methanethione Openeye Name: [1-(2,4-dinitroanilino)triazol-4-yl]-morpholino-methanethione CAS Name: [1-(2,4-dinitroanilino)-4-triazolyl]-(4-morpholinyl)methanethione IUPAC Name: [1-(2,4-dinitroanilino)triazol-4-yl]-morpholin-4-ylmethanethione Traditional Name: [1-(2,4-dinitroanilino)triazol-4-yl]-morpholino-methanethione Formula: C13H13N7O5S MolecularWeight: 379.35122

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=S)C2=CN(N=N2)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C(=S)C2=CN(N=N2)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H13N7O5S/c21-19(22)9-1-2-10(12(7-9)20(23)24)15-18-8-11(14-16-18)13(26)17-3-5-25-6-4-17/h1-2,7-8,15H,3-6H2