2-[[ethyl-(phenylmethyl)amino]methyl]-5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[ethyl-(phenylmethyl)amino]methyl]-5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-2-[[benzyl(ethyl)amino]methyl]-5-(4-methoxyphenyl)-1,2,4-triazole-3-thione CAS Name: 2-[[ethyl-(phenylmethyl)amino]methyl]-5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[benzyl(ethyl)amino]methyl]-5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-2-[[benzyl(ethyl)amino]methyl]-5-(4-methoxyphenyl)-1,2,4-triazole-3-thione Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)CN2C(=S)N(C(=N2)C3=CC=C(C=C3)OC)CC=C

Isomeric SMILES

CCN(CC1=CC=CC=C1)CN2C(=S)N(C(=N2)C3=CC=C(C=C3)OC)CC=C

InChI

InChI=1S/C22H26N4OS/c1-4-15-25-21(19-11-13-20(27-3)14-12-19)23-26(22(25)28)17-24(5-2)16-18-9-7-6-8-10-18/h4,6-14H,1,5,15-17H2,2-3H3