5-(4-chlorophenyl)-4-prop-2-enyl-2-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,2,4-triazole-3-thione

Systemtic Name: 5-(4-chlorophenyl)-4-prop-2-enyl-2-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4-allyl-5-(4-chlorophenyl)-2-[[2-(3-pyridyl)pyrrolidin-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 5-(4-chlorophenyl)-4-prop-2-enyl-2-[[2-(3-pyridinyl)-1-pyrrolidinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-(4-chlorophenyl)-4-prop-2-enyl-2-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4-allyl-5-(4-chlorophenyl)-2-[[2-(3-pyridyl)pyrrolidino]methyl]-1,2,4-triazole-3-thione Formula: C21H22ClN5S MolecularWeight: 411.95088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN(C1=S)CN2CCCC2C3=CN=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C=CCN1C(=NN(C1=S)CN2CCCC2C3=CN=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H22ClN5S/c1-2-12-26-20(16-7-9-18(22)10-8-16)24-27(21(26)28)15-25-13-4-6-19(25)17-5-3-11-23-14-17/h2-3,5,7-11,14,19H,1,4,6,12-13,15H2