4-(3-methylbutyl)-5-(phenoxymethyl)-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione

Systemtic Name: 4-(3-methylbutyl)-5-(phenoxymethyl)-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4-isopentyl-5-(phenoxymethyl)-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 4-(3-methylbutyl)-5-(phenoxymethyl)-2-[[4-(2-pyrazinyl)-1-piperazinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-(3-methylbutyl)-5-(phenoxymethyl)-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4-isoamyl-5-(phenoxymethyl)-2-[(4-pyrazin-2-ylpiperazino)methyl]-1,2,4-triazole-3-thione Formula: C23H31N7OS MolecularWeight: 453.60354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=NN(C1=S)CN2CCN(CC2)C3=NC=CN=C3)COC4=CC=CC=C4

Isomeric SMILES

CC(C)CCN1C(=NN(C1=S)CN2CCN(CC2)C3=NC=CN=C3)COC4=CC=CC=C4

InChI

InChI=1S/C23H31N7OS/c1-19(2)8-11-29-22(17-31-20-6-4-3-5-7-20)26-30(23(29)32)18-27-12-14-28(15-13-27)21-16-24-9-10-25-21/h3-7,9-10,16,19H,8,11-15,17-18H2,1-2H3