N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide

Systemtic Name: N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-[1-(4-isopropylphenyl)-2-methyl-propyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide CAS Name: N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzamide IUPAC Name: N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-(2-methyl-1-p-cumenyl-propyl)-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzamide Formula: C23H27N5O3S MolecularWeight: 453.55718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5O3S/c1-14(2)16-6-8-17(9-7-16)21(15(3)4)25-22(29)18-10-11-20(19(12-18)28(30)31)32-23-26-24-13-27(23)5/h6-15,21H,1-5H3,(H,25,29)