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

Systemtic Name: N-(3-nitrophenyl)-2-[[4-(oxolan-2-ylmethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-isopropyl-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide CAS Name: N-(3-nitrophenyl)-2-[[4-(2-oxolanylmethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-nitrophenyl)-2-[[4-(oxolan-2-ylmethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[5-isopropyl-4-(tetrahydrofurfuryl)-1,2,4-triazol-3-yl]thio]-N-(3-nitrophenyl)acetamide Formula: C18H23N5O4S MolecularWeight: 405.47132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1CC2CCCO2)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=NN=C(N1CC2CCCO2)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H23N5O4S/c1-12(2)17-20-21-18(22(17)10-15-7-4-8-27-15)28-11-16(24)19-13-5-3-6-14(9-13)23(25)26/h3,5-6,9,12,15H,4,7-8,10-11H2,1-2H3,(H,19,24)