(Z)-5-(1H-isothiochromen-1-yl)-3,4-dimethyl-pent-3-enenitrile

Systemtic Name: (Z)-5-(1H-isothiochromen-1-yl)-3,4-dimethyl-pent-3-enenitrile Openeye Name: (Z)-5-(1H-isothiochromen-1-yl)-3,4-dimethyl-pent-3-enenitrile CAS Name: (Z)-5-(1H-2-benzothiopyran-1-yl)-3,4-dimethyl-3-pentenenitrile IUPAC Name: (Z)-5-(1H-isothiochromen-1-yl)-3,4-dimethylpent-3-enenitrile Traditional Name: (Z)-5-(1H-isothiochromen-1-yl)-3,4-dimethyl-pent-3-enenitrile Formula: C16H17NS MolecularWeight: 255.37788

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C)CC1C2=CC=CC=C2C=CS1)CC#N

Isomeric SMILES

C/C(=C(\C)/CC1C2=CC=CC=C2C=CS1)/CC#N

InChI

InChI=1S/C16H17NS/c1-12(7-9-17)13(2)11-16-15-6-4-3-5-14(15)8-10-18-16/h3-6,8,10,16H,7,11H2,1-2H3/b13-12-