4-(5-chloranyl-2-methoxy-phenyl)-3-(3-nitrophenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(5-chloranyl-2-methoxy-phenyl)-3-(3-nitrophenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(5-chloro-2-methoxy-phenyl)-3-(3-nitrophenyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(5-chloro-2-methoxyphenyl)-3-(3-nitrophenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(5-chloro-2-methoxyphenyl)-3-(3-nitrophenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(5-chloro-2-methoxy-phenyl)-3-(3-nitrophenyl)-1H-1,2,4-triazole-5-thione Formula: C15H11ClN4O3S MolecularWeight: 362.79084

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)N2C(=NNC2=S)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)N2C(=NNC2=S)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H11ClN4O3S/c1-23-13-6-5-10(16)8-12(13)19-14(17-18-15(19)24)9-3-2-4-11(7-9)20(21)22/h2-8H,1H3,(H,18,24)