4-(4-bromophenyl)-5-(5-nitrothiophen-2-yl)-2-phenyl-1,2,4-triazol-3-one

Systemtic Name: 4-(4-bromophenyl)-5-(5-nitrothiophen-2-yl)-2-phenyl-1,2,4-triazol-3-one Openeye Name: 4-(4-bromophenyl)-5-(5-nitro-2-thienyl)-2-phenyl-1,2,4-triazol-3-one CAS Name: 4-(4-bromophenyl)-5-(5-nitro-2-thiophenyl)-2-phenyl-1,2,4-triazol-3-one IUPAC Name: 4-(4-bromophenyl)-5-(5-nitrothiophen-2-yl)-2-phenyl-1,2,4-triazol-3-one Traditional Name: 4-(4-bromophenyl)-5-(5-nitro-2-thienyl)-2-phenyl-1,2,4-triazol-3-one Formula: C18H11BrN4O3S MolecularWeight: 443.27394

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)N(C(=N2)C3=CC=C(S3)[N+](=O)[O-])C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)N(C(=N2)C3=CC=C(S3)[N+](=O)[O-])C4=CC=C(C=C4)Br

InChI

InChI=1S/C18H11BrN4O3S/c19-12-6-8-13(9-7-12)21-17(15-10-11-16(27-15)23(25)26)20-22(18(21)24)14-4-2-1-3-5-14/h1-11H