2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-(2-piperidin-1-ylethyl)-4-prop-2-enyl-1,2,4-triazole-3-thione

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-(2-piperidin-1-ylethyl)-4-prop-2-enyl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-[2-(1-piperidyl)ethyl]-1,2,4-triazole-3-thione CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-[2-(1-piperidinyl)ethyl]-4-prop-2-enyl-1,2,4-triazole-3-thione IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-(2-piperidin-1-ylethyl)-4-prop-2-enyl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-(2-piperidinoethyl)-1,2,4-triazole-3-thione Formula: C22H31N5S MolecularWeight: 397.58004

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN(C1=S)CN2CCC3=CC=CC=C3C2)CCN4CCCCC4

Isomeric SMILES

C=CCN1C(=NN(C1=S)CN2CCC3=CC=CC=C3C2)CCN4CCCCC4

InChI

InChI=1S/C22H31N5S/c1-2-12-26-21(11-16-24-13-6-3-7-14-24)23-27(22(26)28)18-25-15-10-19-8-4-5-9-20(19)17-25/h2,4-5,8-9H,1,3,6-7,10-18H2