2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methoxy-3-nitro-phenyl)ethanone

Systemtic Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methoxy-3-nitro-phenyl)ethanone Openeye Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methoxy-3-nitro-phenyl)ethanone CAS Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-(4-methoxy-3-nitrophenyl)ethanone IUPAC Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methoxy-3-nitrophenyl)ethanone Traditional Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-(4-methoxy-3-nitro-phenyl)ethanone Formula: C20H18N4O4S MolecularWeight: 410.44632

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4CC4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4CC4)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O4S/c1-28-18-10-9-14(11-16(18)24(26)27)17(25)12-29-20-22-21-19(13-7-8-13)23(20)15-5-3-2-4-6-15/h2-6,9-11,13H,7-8,12H2,1H3