2-[(4-phenylpiperazin-1-yl)methyl]-4-prop-2-enyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole-3-thione

Systemtic Name: 2-[(4-phenylpiperazin-1-yl)methyl]-4-prop-2-enyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole-3-thione Openeye Name: 4-allyl-2-[(4-phenylpiperazin-1-yl)methyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole-3-thione CAS Name: 2-[(4-phenyl-1-piperazinyl)methyl]-4-prop-2-enyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-phenylpiperazin-1-yl)methyl]-4-prop-2-enyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole-3-thione Traditional Name: 4-allyl-2-[(4-phenylpiperazino)methyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole-3-thione Formula: C25H31N5O3S MolecularWeight: 481.61034

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NN(C(=S)N2CC=C)CN3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NN(C(=S)N2CC=C)CN3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H31N5O3S/c1-5-11-29-24(19-16-21(31-2)23(33-4)22(17-19)32-3)26-30(25(29)34)18-27-12-14-28(15-13-27)20-9-7-6-8-10-20/h5-10,16-17H,1,11-15,18H2,2-4H3