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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CCN2C=NN=C2SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CSC(=C1)CCN2C=NN=C2SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C16H15N5O3S2/c17-15(22)11-3-4-12(14(8-11)21(23)24)9-26-16-19-18-10-20(16)6-5-13-2-1-7-25-13/h1-4,7-8,10H,5-6,9H2,(H2,17,22)