3-(2,3-dimethyl-5-nitro-imidazol-4-yl)sulfanyl-5-phenyl-1,2,4-triazine

Systemtic Name: 3-(2,3-dimethyl-5-nitro-imidazol-4-yl)sulfanyl-5-phenyl-1,2,4-triazine Openeye Name: 3-(2,3-dimethyl-5-nitro-imidazol-4-yl)sulfanyl-5-phenyl-1,2,4-triazine CAS Name: 3-[(2,3-dimethyl-5-nitro-4-imidazolyl)thio]-5-phenyl-1,2,4-triazine IUPAC Name: 3-(2,3-dimethyl-5-nitroimidazol-4-yl)sulfanyl-5-phenyl-1,2,4-triazine Traditional Name: 3-[(2,3-dimethyl-5-nitro-imidazol-4-yl)thio]-5-phenyl-1,2,4-triazine Formula: C14H12N6O2S MolecularWeight: 328.34908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N1C)SC2=NC(=CN=N2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(N1C)SC2=NC(=CN=N2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H12N6O2S/c1-9-16-12(20(21)22)13(19(9)2)23-14-17-11(8-15-18-14)10-6-4-3-5-7-10/h3-8H,1-2H3