4-cyclopropyl-3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazole

Systemtic Name: 4-cyclopropyl-3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 4-cyclopropyl-3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-5-(2-thienyl)-1,2,4-triazole CAS Name: 4-cyclopropyl-3-[(2-methoxy-5-nitrophenyl)methylthio]-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 4-cyclopropyl-3-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 4-cyclopropyl-3-[(2-methoxy-5-nitro-benzyl)thio]-5-(2-thienyl)-1,2,4-triazole Formula: C17H16N4O3S2 MolecularWeight: 388.46394

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NN=C(N2C3CC3)C4=CC=CS4

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NN=C(N2C3CC3)C4=CC=CS4

InChI

InChI=1S/C17H16N4O3S2/c1-24-14-7-6-13(21(22)23)9-11(14)10-26-17-19-18-16(15-3-2-8-25-15)20(17)12-4-5-12/h2-3,6-9,12H,4-5,10H2,1H3