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

Systemtic Name: 2-[(4-ethylpiperazin-1-yl)methyl]-4-methyl-5-(phenylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-benzyl-2-[(4-ethylpiperazin-1-yl)methyl]-4-methyl-1,2,4-triazole-3-thione CAS Name: 2-[(4-ethyl-1-piperazinyl)methyl]-4-methyl-5-(phenylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-benzyl-2-[(4-ethylpiperazin-1-yl)methyl]-4-methyl-1,2,4-triazole-3-thione Traditional Name: 5-benzyl-2-[(4-ethylpiperazino)methyl]-4-methyl-1,2,4-triazole-3-thione Formula: C17H25N5S MolecularWeight: 331.4789

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CN2C(=S)N(C(=N2)CC3=CC=CC=C3)C

Isomeric SMILES

CCN1CCN(CC1)CN2C(=S)N(C(=N2)CC3=CC=CC=C3)C

InChI

InChI=1S/C17H25N5S/c1-3-20-9-11-21(12-10-20)14-22-17(23)19(2)16(18-22)13-15-7-5-4-6-8-15/h4-8H,3,9-14H2,1-2H3