N-(4-nitrophenyl)-2-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-(4-nitrophenyl)-2-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(4-nitrophenyl)-2-[[4-[2-(2-thienyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(4-nitrophenyl)-2-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(4-nitrophenyl)-2-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(4-nitrophenyl)-2-[[4-[2-(2-thienyl)ethyl]-1,2,4-triazol-3-yl]thio]propionamide Formula: C17H17N5O3S2 MolecularWeight: 403.47858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=NN=CN2CCC3=CC=CS3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=NN=CN2CCC3=CC=CS3

InChI

InChI=1S/C17H17N5O3S2/c1-12(16(23)19-13-4-6-14(7-5-13)22(24)25)27-17-20-18-11-21(17)9-8-15-3-2-10-26-15/h2-7,10-12H,8-9H2,1H3,(H,19,23)