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

Systemtic Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-(1-thiophen-2-ylethyl)benzamide Openeye Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-[1-(2-thienyl)ethyl]benzamide CAS Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-N-(1-thiophen-2-ylethyl)benzamide IUPAC Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-(1-thiophen-2-ylethyl)benzamide Traditional Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-N-[1-(2-thienyl)ethyl]benzamide Formula: C16H15N5O3S2 MolecularWeight: 389.452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N5O3S2/c1-10(13-4-3-7-25-13)18-15(22)11-5-6-14(12(8-11)21(23)24)26-16-19-17-9-20(16)2/h3-10H,1-2H3,(H,18,22)