N-[2-(2-methoxyethylcarbamoyl)phenyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide

Systemtic Name: N-[2-(2-methoxyethylcarbamoyl)phenyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-[2-(2-methoxyethylcarbamoyl)phenyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide CAS Name: N-[2-[(2-methoxyethylamino)-oxomethyl]phenyl]-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzamide IUPAC Name: N-[2-(2-methoxyethylcarbamoyl)phenyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-[2-(2-methoxyethylcarbamoyl)phenyl]-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzamide Formula: C20H20N6O5S MolecularWeight: 456.475

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)NCCOC)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)NCCOC)[N+](=O)[O-]

InChI

InChI=1S/C20H20N6O5S/c1-25-12-22-24-20(25)32-17-8-7-13(11-16(17)26(29)30)18(27)23-15-6-4-3-5-14(15)19(28)21-9-10-31-2/h3-8,11-12H,9-10H2,1-2H3,(H,21,28)(H,23,27)