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

Systemtic Name: N-[2-(butan-2-ylcarbamoyl)phenyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide Openeye Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-[2-(sec-butylcarbamoyl)phenyl]benzamide CAS Name: N-[2-[(butan-2-ylamino)-oxomethyl]phenyl]-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzamide IUPAC Name: N-[2-(butan-2-ylcarbamoyl)phenyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzamide Traditional Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-N-[2-(sec-butylcarbamoyl)phenyl]benzamide Formula: C21H22N6O4S MolecularWeight: 454.50218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)SC3=NN=CN3C)[N+](=O)[O-]

Isomeric SMILES

CCC(C)NC(=O)C1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)SC3=NN=CN3C)[N+](=O)[O-]

InChI

InChI=1S/C21H22N6O4S/c1-4-13(2)23-20(29)15-7-5-6-8-16(15)24-19(28)14-9-10-18(17(11-14)27(30)31)32-21-25-22-12-26(21)3/h5-13H,4H2,1-3H3,(H,23,29)(H,24,28)