N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanamide

Systemtic Name: N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanamide Openeye Name: N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide CAS Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide IUPAC Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide Formula: C17H18N6O5S3 MolecularWeight: 482.55702

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)CN2C(=NNC2=S)C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)CN2C(=NNC2=S)C3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N6O5S3/c1-31(27,28)11-4-5-12(13(9-11)23(25)26)18-6-7-19-15(24)10-22-16(20-21-17(22)29)14-3-2-8-30-14/h2-5,8-9,18H,6-7,10H2,1H3,(H,19,24)(H,21,29)