4-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-nitro-benzamide

Systemtic Name: 4-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-nitro-benzamide Openeye Name: 4-[[4-cyclopropyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-nitro-benzamide CAS Name: 4-[[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-3-nitrobenzamide IUPAC Name: 4-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-nitrobenzamide Traditional Name: 4-[[[4-cyclopropyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]methyl]-3-nitro-benzamide Formula: C18H17N5O3S2 MolecularWeight: 415.48928

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])CC4=CC=CS4

Isomeric SMILES

C1CC1N2C(=NN=C2SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])CC4=CC=CS4

InChI

InChI=1S/C18H17N5O3S2/c19-17(24)11-3-4-12(15(8-11)23(25)26)10-28-18-21-20-16(22(18)13-5-6-13)9-14-2-1-7-27-14/h1-4,7-8,13H,5-6,9-10H2,(H2,19,24)