5-cyclohexyl-3-(pyridin-3-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-c]quinazoline

Systemtic Name: 5-cyclohexyl-3-(pyridin-3-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-c]quinazoline Openeye Name: 5-cyclohexyl-3-(3-pyridylmethylsulfanyl)-[1,2,4]triazolo[4,3-c]quinazoline CAS Name: 5-cyclohexyl-3-(3-pyridinylmethylthio)-[1,2,4]triazolo[4,3-c]quinazoline IUPAC Name: 5-cyclohexyl-3-(pyridin-3-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-c]quinazoline Traditional Name: 5-cyclohexyl-3-(3-pyridylmethylthio)-[1,2,4]triazolo[4,3-c]quinazoline Formula: C21H21N5S MolecularWeight: 375.48994

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NC3=CC=CC=C3C4=NN=C(N24)SCC5=CN=CC=C5

Isomeric SMILES

C1CCC(CC1)C2=NC3=CC=CC=C3C4=NN=C(N24)SCC5=CN=CC=C5

InChI

InChI=1S/C21H21N5S/c1-2-8-16(9-3-1)19-23-18-11-5-4-10-17(18)20-24-25-21(26(19)20)27-14-15-7-6-12-22-13-15/h4-7,10-13,16H,1-3,8-9,14H2