1-[4-[3-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propyl]piperazin-1-yl]isoquinoline

Systemtic Name: 1-[4-[3-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propyl]piperazin-1-yl]isoquinoline Openeye Name: 1-[4-[3-[[4-methyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]propyl]piperazin-1-yl]isoquinoline CAS Name: 1-[4-[3-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]propyl]-1-piperazinyl]isoquinoline IUPAC Name: 1-[4-[3-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propyl]piperazin-1-yl]isoquinoline Traditional Name: 1-[4-[3-[[4-methyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]propyl]piperazino]isoquinoline Formula: C23H26N6S2 MolecularWeight: 450.62274

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCCN2CCN(CC2)C3=NC=CC4=CC=CC=C43)C5=CC=CS5

Isomeric SMILES

CN1C(=NN=C1SCCCN2CCN(CC2)C3=NC=CC4=CC=CC=C43)C5=CC=CS5

InChI

InChI=1S/C23H26N6S2/c1-27-22(20-8-4-16-30-20)25-26-23(27)31-17-5-11-28-12-14-29(15-13-28)21-19-7-3-2-6-18(19)9-10-24-21/h2-4,6-10,16H,5,11-15,17H2,1H3