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

Systemtic Name: N-(4-nitrophenyl)-2-[(4-propan-2-yl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[[4-isopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide CAS Name: N-(4-nitrophenyl)-2-[(4-propan-2-yl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-nitrophenyl)-2-[(4-propan-2-yl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[[4-isopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-(4-nitrophenyl)acetamide Formula: C17H17N5O3S2 MolecularWeight: 403.47858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CS3

Isomeric SMILES

CC(C)N1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CS3

InChI

InChI=1S/C17H17N5O3S2/c1-11(2)21-16(14-4-3-9-26-14)19-20-17(21)27-10-15(23)18-12-5-7-13(8-6-12)22(24)25/h3-9,11H,10H2,1-2H3,(H,18,23)