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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C(C)C

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C(C)C

InChI

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