4-[2-(3,4-dimethoxyphenyl)ethyl]-3-(9H-xanthen-9-yl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[2-(3,4-dimethoxyphenyl)ethyl]-3-(9H-xanthen-9-yl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-[2-(3,4-dimethoxyphenyl)ethyl]-3-(9H-xanthen-9-yl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[2-(3,4-dimethoxyphenyl)ethyl]-3-(9H-xanthen-9-yl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[2-(3,4-dimethoxyphenyl)ethyl]-3-(9H-xanthen-9-yl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-homoveratryl-3-(9H-xanthen-9-yl)-1H-1,2,4-triazole-5-thione Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(=NNC2=S)C3C4=CC=CC=C4OC5=CC=CC=C35)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=NNC2=S)C3C4=CC=CC=C4OC5=CC=CC=C35)OC

InChI

InChI=1S/C25H23N3O3S/c1-29-21-12-11-16(15-22(21)30-2)13-14-28-24(26-27-25(28)32)23-17-7-3-5-9-19(17)31-20-10-6-4-8-18(20)23/h3-12,15,23H,13-14H2,1-2H3,(H,27,32)