2-[[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]methyl]-5-methyl-4-prop-2-enyl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]methyl]-5-methyl-4-prop-2-enyl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-2-[[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazinyl]methyl]-5-methyl-4-prop-2-enyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methyl]-5-methyl-4-prop-2-enyl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-2-[[4-(3-fluoro-4-methoxy-benzyl)piperazino]methyl]-5-methyl-1,2,4-triazole-3-thione Formula: C19H26FN5OS MolecularWeight: 391.506043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1CC=C)CN2CCN(CC2)CC3=CC(=C(C=C3)OC)F

Isomeric SMILES

CC1=NN(C(=S)N1CC=C)CN2CCN(CC2)CC3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C19H26FN5OS/c1-4-7-24-15(2)21-25(19(24)27)14-23-10-8-22(9-11-23)13-16-5-6-18(26-3)17(20)12-16/h4-6,12H,1,7-11,13-14H2,2-3H3