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

Systemtic Name: N-[(1S)-3-methyl-1-phenyl-butyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-[(1S)-3-methyl-1-phenyl-butyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide CAS Name: N-[(1S)-3-methyl-1-phenylbutyl]-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzamide IUPAC Name: N-[(1S)-3-methyl-1-phenylbutyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-[(1S)-3-methyl-1-phenyl-butyl]-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzamide Formula: C21H23N5O3S MolecularWeight: 425.50402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O3S/c1-14(2)11-17(15-7-5-4-6-8-15)23-20(27)16-9-10-19(18(12-16)26(28)29)30-21-24-22-13-25(21)3/h4-10,12-14,17H,11H2,1-3H3,(H,23,27)/t17-/m0/s1