N-butan-2-yl-2-[[5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-butan-2-yl-2-[[5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-sec-butyl-acetamide CAS Name: N-butan-2-yl-2-[[5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-butan-2-yl-2-[[5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]thio]-N-sec-butyl-acetamide Formula: C17H21N5O3S MolecularWeight: 375.44534

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=NN=C(N1CC=C)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCC(C)NC(=O)CSC1=NN=C(N1CC=C)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O3S/c1-4-10-21-16(13-6-8-14(9-7-13)22(24)25)19-20-17(21)26-11-15(23)18-12(3)5-2/h4,6-9,12H,1,5,10-11H2,2-3H3,(H,18,23)