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

Systemtic Name: N-(4-nitrophenyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: 2-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)propanamide CAS Name: N-(4-nitrophenyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(4-nitrophenyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: 2-[(4-isopropyl-1,2,4-triazol-3-yl)thio]-N-(4-nitrophenyl)propionamide Formula: C14H17N5O3S MolecularWeight: 335.38148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NN=C1SC(C)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)N1C=NN=C1SC(C)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H17N5O3S/c1-9(2)18-8-15-17-14(18)23-10(3)13(20)16-11-4-6-12(7-5-11)19(21)22/h4-10H,1-3H3,(H,16,20)