2-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxy-2-nitro-phenyl)ethanamide

Systemtic Name: 2-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxy-2-nitro-phenyl)ethanamide Openeye Name: 2-[(4-cyclopropyl-5-isopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxy-2-nitro-phenyl)acetamide CAS Name: 2-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)thio]-N-(4-ethoxy-2-nitrophenyl)acetamide IUPAC Name: 2-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxy-2-nitrophenyl)acetamide Traditional Name: 2-[(4-cyclopropyl-5-isopropyl-1,2,4-triazol-3-yl)thio]-N-(4-ethoxy-2-nitro-phenyl)acetamide Formula: C18H23N5O4S MolecularWeight: 405.47132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2C3CC3)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2C3CC3)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H23N5O4S/c1-4-27-13-7-8-14(15(9-13)23(25)26)19-16(24)10-28-18-21-20-17(11(2)3)22(18)12-5-6-12/h7-9,11-12H,4-6,10H2,1-3H3,(H,19,24)