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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NCCC3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NCCC3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C16H15N5O3S2/c1-20-10-18-19-16(20)26-14-5-4-11(9-13(14)21(23)24)15(22)17-7-6-12-3-2-8-25-12/h2-5,8-10H,6-7H2,1H3,(H,17,22)