ethyl 3-[[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]carbonylamino]-5-phenyl-thiophene-2-carboxylate

Systemtic Name: ethyl 3-[[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]carbonylamino]-5-phenyl-thiophene-2-carboxylate Openeye Name: ethyl 3-[[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzoyl]amino]-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[[4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrophenyl]-oxomethyl]amino]-5-phenyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoyl]amino]-5-phenylthiophene-2-carboxylate Traditional Name: 3-[[4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzoyl]amino]-5-phenyl-thiophene-2-carboxylic acid ethyl ester Formula: C23H19N5O5S2 MolecularWeight: 509.55746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3)SC4=NN=CN4C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3)SC4=NN=CN4C)[N+](=O)[O-]

InChI

InChI=1S/C23H19N5O5S2/c1-3-33-22(30)20-16(12-19(34-20)14-7-5-4-6-8-14)25-21(29)15-9-10-18(17(11-15)28(31)32)35-23-26-24-13-27(23)2/h4-13H,3H2,1-2H3,(H,25,29)