(E)-3-azanyl-2-[[4-oxidanylidene-3,5-di(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]methyl]-3-sulfanyl-prop-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[[4-oxidanylidene-3,5-di(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]methyl]-3-sulfanyl-prop-2-enenitrile Openeye Name: (E)-3-amino-2-[(3,5-diisopropyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-3-sulfanyl-prop-2-enenitrile CAS Name: (E)-3-amino-3-mercapto-2-[[4-oxo-3,5-di(propan-2-yl)-1-cyclohexa-2,5-dienylidene]methyl]-2-propenenitrile IUPAC Name: (E)-3-amino-2-[[4-oxo-3,5-di(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]methyl]-3-sulfanylprop-2-enenitrile Traditional Name: (E)-3-amino-2-[(3,5-diisopropyl-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]-3-mercapto-acrylonitrile Formula: C16H20N2OS MolecularWeight: 288.4078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC(=C(N)S)C#N)C=C(C1=O)C(C)C

Isomeric SMILES

CC(C)C1=CC(=C/C(=C(/N)\S)/C#N)C=C(C1=O)C(C)C

InChI

InChI=1S/C16H20N2OS/c1-9(2)13-6-11(5-12(8-17)16(18)20)7-14(10(3)4)15(13)19/h5-7,9-10,20H,18H2,1-4H3/b16-12+