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

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

C1=CSC(=C1)CCN2C=NN=C2SCCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CSC(=C1)CCN2C=NN=C2SCCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O3S2/c23-16(19-13-3-5-14(6-4-13)22(24)25)8-11-27-17-20-18-12-21(17)9-7-15-2-1-10-26-15/h1-6,10,12H,7-9,11H2,(H,19,23)