2-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]propyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]propyl]-3,4-dihydro-1H-isoquinoline Formula: C21H24N4S MolecularWeight: 364.50706

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCCN2CCC3=CC=CC=C3C2)C4=CC=CC=C4

Isomeric SMILES

CN1C(=NN=C1SCCCN2CCC3=CC=CC=C3C2)C4=CC=CC=C4

InChI

InChI=1S/C21H24N4S/c1-24-20(18-9-3-2-4-10-18)22-23-21(24)26-15-7-13-25-14-12-17-8-5-6-11-19(17)16-25/h2-6,8-11H,7,12-16H2,1H3