N-(3-nitrophenyl)-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-(3-nitrophenyl)-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(3-nitrophenyl)-2-[[5-(2-thienylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(3-nitrophenyl)-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(3-nitrophenyl)-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(3-nitrophenyl)-2-[[5-(2-thenyl)-1H-1,2,4-triazol-3-yl]thio]propionamide Formula: C16H15N5O3S2 MolecularWeight: 389.452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])SC2=NNC(=N2)CC3=CC=CS3

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])SC2=NNC(=N2)CC3=CC=CS3

InChI

InChI=1S/C16H15N5O3S2/c1-10(15(22)17-11-4-2-5-12(8-11)21(23)24)26-16-18-14(19-20-16)9-13-6-3-7-25-13/h2-8,10H,9H2,1H3,(H,17,22)(H,18,19,20)