3-nitro-4-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]benzamide

Systemtic Name: 3-nitro-4-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]benzamide Openeye Name: 3-nitro-4-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]benzamide CAS Name: 3-nitro-4-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]benzamide IUPAC Name: 3-nitro-4-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]benzamide Traditional Name: 3-nitro-4-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]benzamide Formula: C19H13N5O3S2 MolecularWeight: 423.46822

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])C4=CC=CS4

InChI

InChI=1S/C19H13N5O3S2/c20-17(25)12-8-9-15(14(11-12)24(26)27)29-19-22-21-18(16-7-4-10-28-16)23(19)13-5-2-1-3-6-13/h1-11H,(H2,20,25)