2-(2-methylpropyl)-4-oxidanylidene-6-(phenylmethylsulfanyl)-2,3-dihydro-1,3-thiazine-5-carbonitrile

Systemtic Name: 2-(2-methylpropyl)-4-oxidanylidene-6-(phenylmethylsulfanyl)-2,3-dihydro-1,3-thiazine-5-carbonitrile Openeye Name: 6-benzylsulfanyl-2-isobutyl-4-oxo-2,3-dihydro-1,3-thiazine-5-carbonitrile CAS Name: 2-(2-methylpropyl)-4-oxo-6-(phenylmethylthio)-2,3-dihydro-1,3-thiazine-5-carbonitrile IUPAC Name: 6-benzylsulfanyl-2-(2-methylpropyl)-4-oxo-2,3-dihydro-1,3-thiazine-5-carbonitrile Traditional Name: 6-(benzylthio)-2-isobutyl-4-keto-2,3-dihydro-1,3-thiazine-5-carbonitrile Formula: C16H18N2OS2 MolecularWeight: 318.45692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1NC(=O)C(=C(S1)SCC2=CC=CC=C2)C#N

Isomeric SMILES

CC(C)CC1NC(=O)C(=C(S1)SCC2=CC=CC=C2)C#N

InChI

InChI=1S/C16H18N2OS2/c1-11(2)8-14-18-15(19)13(9-17)16(21-14)20-10-12-6-4-3-5-7-12/h3-7,11,14H,8,10H2,1-2H3,(H,18,19)