N-(4-nitrophenyl)-2-[(4-pyrrol-1-yl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-nitrophenyl)-2-[(4-pyrrol-1-yl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-nitrophenyl)-2-[[4-pyrrol-1-yl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-nitrophenyl)-2-[[4-(1-pyrrolyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-nitrophenyl)-2-[(4-pyrrol-1-yl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-nitrophenyl)-2-[[4-pyrrol-1-yl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C18H14N6O3S2 MolecularWeight: 426.47216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CS4

Isomeric SMILES

C1=CN(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CS4

InChI

InChI=1S/C18H14N6O3S2/c25-16(19-13-5-7-14(8-6-13)24(26)27)12-29-18-21-20-17(15-4-3-11-28-15)23(18)22-9-1-2-10-22/h1-11H,12H2,(H,19,25)