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4-[2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]ethoxy]benzenecarbonitrile
4-[2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]ethoxy]benzenecarbonitrile
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Descriptors Computed from Structure
Canonical SMILES:
CC1=CC(=NC2=NN=C(N12)SCCOC3=CC=C(C=C3)C#N)C
Isomeric SMILES
CC1=CC(=NC2=NN=C(N12)SCCOC3=CC=C(C=C3)C#N)C
InChI
InChI=1S/C16H15N5OS/c1-11-9-12(2)21-15(18-11)19-20-16(21)23-8-7-22-14-5-3-13(10-17)4-6-14/h3-6,9H,7-8H2,1-2H3
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