2-[7-methyl-1,1-bis(oxidanylidene)-3,4-dihydro-2H-1$l^{6}-benzothiepin-5-ylidene]propanedinitrile

Systemtic Name: 2-[7-methyl-1,1-bis(oxidanylidene)-3,4-dihydro-2H-1$l^{6}-benzothiepin-5-ylidene]propanedinitrile Openeye Name: 2-(7-methyl-1,1-dioxo-3,4-dihydro-2H-1$l^{6}-benzothiepin-5-ylidene)propanedinitrile CAS Name: 2-(7-methyl-1,1-dioxo-3,4-dihydro-2H-1$l^{6}-benzothiepin-5-ylidene)propanedinitrile IUPAC Name: 2-(7-methyl-1,1-dioxo-3,4-dihydro-2H-1$l^{6}-benzothiepin-5-ylidene)propanedinitrile Traditional Name: 2-(1,1-diketo-7-methyl-3,4-dihydro-2H-1$l^{6}-benzothiepin-5-ylidene)malononitrile Formula: C14H12N2O2S MolecularWeight: 272.32228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)S(=O)(=O)CCCC2=C(C#N)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)S(=O)(=O)CCCC2=C(C#N)C#N

InChI

InChI=1S/C14H12N2O2S/c1-10-4-5-14-13(7-10)12(11(8-15)9-16)3-2-6-19(14,17)18/h4-5,7H,2-3,6H2,1H3