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

Systemtic Name: N-[(1R)-2-methyl-1-thiophen-2-yl-propyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-[(1R)-2-methyl-1-(2-thienyl)propyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide CAS Name: N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzamide IUPAC Name: N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-[(1R)-2-methyl-1-(2-thienyl)propyl]-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzamide Formula: C18H19N5O3S2 MolecularWeight: 417.50516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=CS1)NC(=O)C2=CC(=C(C=C2)SC3=NN=CN3C)[N+](=O)[O-]

Isomeric SMILES

CC(C)[C@H](C1=CC=CS1)NC(=O)C2=CC(=C(C=C2)SC3=NN=CN3C)[N+](=O)[O-]

InChI

InChI=1S/C18H19N5O3S2/c1-11(2)16(15-5-4-8-27-15)20-17(24)12-6-7-14(13(9-12)23(25)26)28-18-21-19-10-22(18)3/h4-11,16H,1-3H3,(H,20,24)/t16-/m1/s1