4-(3,4-dimethylphenyl)-2-[(4-ethylpiperazin-1-yl)methyl]-5-phenyl-1,2,4-triazole-3-thione

Systemtic Name: 4-(3,4-dimethylphenyl)-2-[(4-ethylpiperazin-1-yl)methyl]-5-phenyl-1,2,4-triazole-3-thione Openeye Name: 4-(3,4-dimethylphenyl)-2-[(4-ethylpiperazin-1-yl)methyl]-5-phenyl-1,2,4-triazole-3-thione CAS Name: 4-(3,4-dimethylphenyl)-2-[(4-ethyl-1-piperazinyl)methyl]-5-phenyl-1,2,4-triazole-3-thione IUPAC Name: 4-(3,4-dimethylphenyl)-2-[(4-ethylpiperazin-1-yl)methyl]-5-phenyl-1,2,4-triazole-3-thione Traditional Name: 4-(3,4-dimethylphenyl)-2-[(4-ethylpiperazino)methyl]-5-phenyl-1,2,4-triazole-3-thione Formula: C23H29N5S MolecularWeight: 407.57486

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC=CC=C3)C4=CC(=C(C=C4)C)C

Isomeric SMILES

CCN1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC=CC=C3)C4=CC(=C(C=C4)C)C

InChI

InChI=1S/C23H29N5S/c1-4-25-12-14-26(15-13-25)17-27-23(29)28(21-11-10-18(2)19(3)16-21)22(24-27)20-8-6-5-7-9-20/h5-11,16H,4,12-15,17H2,1-3H3