4-[2-(3,4-dimethoxyphenyl)ethyl]-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[2-(3,4-dimethoxyphenyl)ethyl]-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-thienylmethyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[2-(3,4-dimethoxyphenyl)ethyl]-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[2-(3,4-dimethoxyphenyl)ethyl]-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-homoveratryl-3-(2-thenyl)-1H-1,2,4-triazole-5-thione Formula: C17H19N3O2S2 MolecularWeight: 361.48166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(=NNC2=S)CC3=CC=CS3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=NNC2=S)CC3=CC=CS3)OC

InChI

InChI=1S/C17H19N3O2S2/c1-21-14-6-5-12(10-15(14)22-2)7-8-20-16(18-19-17(20)23)11-13-4-3-9-24-13/h3-6,9-10H,7-8,11H2,1-2H3,(H,19,23)