2-[[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-1-yl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-1-yl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-2-[[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 2-[[4-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-piperazinyl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-2-[[4-(4,5-dimethoxy-2-methyl-benzyl)piperazino]methyl]-1,2,4-triazole-3-thione Formula: C20H29N5O2S MolecularWeight: 403.54156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CN2CCN(CC2)CN3C(=S)N(C=N3)CC=C)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CN2CCN(CC2)CN3C(=S)N(C=N3)CC=C)OC)OC

InChI

InChI=1S/C20H29N5O2S/c1-5-6-24-14-21-25(20(24)28)15-23-9-7-22(8-10-23)13-17-12-19(27-4)18(26-3)11-16(17)2/h5,11-12,14H,1,6-10,13,15H2,2-4H3