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

Systemtic Name: 2-[[5-(3-nitrophenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-yl-ethanamide Openeye Name: N-isopropyl-2-[[5-(3-nitrophenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[5-(3-nitrophenyl)-4-propyl-1,2,4-triazol-3-yl]thio]-N-propan-2-ylacetamide IUPAC Name: 2-[[5-(3-nitrophenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-ylacetamide Traditional Name: N-isopropyl-2-[[5-(3-nitrophenyl)-4-propyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C16H21N5O3S MolecularWeight: 363.43464

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)NC(C)C)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)NC(C)C)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H21N5O3S/c1-4-8-20-15(12-6-5-7-13(9-12)21(23)24)18-19-16(20)25-10-14(22)17-11(2)3/h5-7,9,11H,4,8,10H2,1-3H3,(H,17,22)