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

Systemtic Name: 3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole Openeye Name: 3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-4-phenethyl-5-(2-thienylmethyl)-1,2,4-triazole CAS Name: 3-[(2-methoxy-5-nitrophenyl)methylthio]-4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole IUPAC Name: 3-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole Traditional Name: 3-[(2-methoxy-5-nitro-benzyl)thio]-4-phenethyl-5-(2-thenyl)-1,2,4-triazole Formula: C23H22N4O3S2 MolecularWeight: 466.57578

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NN=C(N2CCC3=CC=CC=C3)CC4=CC=CS4

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NN=C(N2CCC3=CC=CC=C3)CC4=CC=CS4

InChI

InChI=1S/C23H22N4O3S2/c1-30-21-10-9-19(27(28)29)14-18(21)16-32-23-25-24-22(15-20-8-5-13-31-20)26(23)12-11-17-6-3-2-4-7-17/h2-10,13-14H,11-12,15-16H2,1H3