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

Systemtic Name: 4-cyclopropyl-3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole Openeye Name: 4-cyclopropyl-3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-5-(2-thienylmethyl)-1,2,4-triazole CAS Name: 4-cyclopropyl-3-[(2-methoxy-5-nitrophenyl)methylthio]-5-(thiophen-2-ylmethyl)-1,2,4-triazole IUPAC Name: 4-cyclopropyl-3-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole Traditional Name: 4-cyclopropyl-3-[(2-methoxy-5-nitro-benzyl)thio]-5-(2-thenyl)-1,2,4-triazole Formula: C18H18N4O3S2 MolecularWeight: 402.49052

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NN=C(N2C3CC3)CC4=CC=CS4

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NN=C(N2C3CC3)CC4=CC=CS4

InChI

InChI=1S/C18H18N4O3S2/c1-25-16-7-6-14(22(23)24)9-12(16)11-27-18-20-19-17(21(18)13-4-5-13)10-15-3-2-8-26-15/h2-3,6-9,13H,4-5,10-11H2,1H3