4-[[4-methyl-5-[(9-oxidanylideneacridin-10-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]butanenitrile

Systemtic Name: 4-[[4-methyl-5-[(9-oxidanylideneacridin-10-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Openeye Name: 4-[[4-methyl-5-[(9-oxoacridin-10-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]butanenitrile CAS Name: 4-[[4-methyl-5-[(9-oxo-10-acridinyl)methyl]-1,2,4-triazol-3-yl]thio]butanenitrile IUPAC Name: 4-[[4-methyl-5-[(9-oxoacridin-10-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Traditional Name: 4-[[5-[(9-ketoacridin-10-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C21H19N5OS MolecularWeight: 389.47346

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCCC#N)CN2C3=CC=CC=C3C(=O)C4=CC=CC=C42

Isomeric SMILES

CN1C(=NN=C1SCCCC#N)CN2C3=CC=CC=C3C(=O)C4=CC=CC=C42

InChI

InChI=1S/C21H19N5OS/c1-25-19(23-24-21(25)28-13-7-6-12-22)14-26-17-10-4-2-8-15(17)20(27)16-9-3-5-11-18(16)26/h2-5,8-11H,6-7,13-14H2,1H3