3-(4-methyl-5-sulfanylidene-2,3-dihydropyrido[3,2-f][1,4]oxazepin-2-yl)propanenitrile

Systemtic Name: 3-(4-methyl-5-sulfanylidene-2,3-dihydropyrido[3,2-f][1,4]oxazepin-2-yl)propanenitrile Openeye Name: 3-(4-methyl-5-thioxo-2,3-dihydropyrido[3,2-f][1,4]oxazepin-2-yl)propanenitrile CAS Name: 3-(4-methyl-5-sulfanylidene-2,3-dihydropyrido[3,2-f][1,4]oxazepin-2-yl)propanenitrile IUPAC Name: 3-(4-methyl-5-sulfanylidene-2,3-dihydropyrido[3,2-f][1,4]oxazepin-2-yl)propanenitrile Traditional Name: 3-(4-methyl-5-thioxo-2,3-dihydropyrido[3,2-f][1,4]oxazepin-2-yl)propionitrile Formula: C12H13N3OS MolecularWeight: 247.31612

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(OC2=C(C1=S)C=CC=N2)CCC#N

Isomeric SMILES

CN1CC(OC2=C(C1=S)C=CC=N2)CCC#N

InChI

InChI=1S/C12H13N3OS/c1-15-8-9(4-2-6-13)16-11-10(12(15)17)5-3-7-14-11/h3,5,7,9H,2,4,8H2,1H3