5-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-methyl-1,2,4-triazole-3-thione

Systemtic Name: 5-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-methyl-1,2,4-triazole-3-thione Openeye Name: 5-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-methyl-1,2,4-triazole-3-thione CAS Name: 5-[(1,3-benzothiazol-2-ylthio)methyl]-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-methyl-1,2,4-triazole-3-thione IUPAC Name: 5-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-methyl-1,2,4-triazole-3-thione Traditional Name: 5-[(1,3-benzothiazol-2-ylthio)methyl]-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-methyl-1,2,4-triazole-3-thione Formula: C21H21N5S3 MolecularWeight: 439.61994

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)CN2CCC3=CC=CC=C3C2)CSC4=NC5=CC=CC=C5S4

Isomeric SMILES

CN1C(=NN(C1=S)CN2CCC3=CC=CC=C3C2)CSC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H21N5S3/c1-24-19(13-28-20-22-17-8-4-5-9-18(17)29-20)23-26(21(24)27)14-25-11-10-15-6-2-3-7-16(15)12-25/h2-9H,10-14H2,1H3