3-[[4-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-2-methyl-phenyl]amino]propanenitrile

Systemtic Name: 3-[[4-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-2-methyl-phenyl]amino]propanenitrile Openeye Name: 3-[4-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-2-methyl-anilino]propanenitrile CAS Name: 3-[4-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-2-methylanilino]propanenitrile IUPAC Name: 3-[4-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-2-methylanilino]propanenitrile Traditional Name: 3-[4-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-2-methyl-anilino]propionitrile Formula: C21H24N2S2 MolecularWeight: 368.55866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2CSC(SCC2=C1)C3=CC(=C(C=C3)NCCC#N)C)C

Isomeric SMILES

CC1=C(C=C2CSC(SCC2=C1)C3=CC(=C(C=C3)NCCC#N)C)C

InChI

InChI=1S/C21H24N2S2/c1-14-9-18-12-24-21(25-13-19(18)10-15(14)2)17-5-6-20(16(3)11-17)23-8-4-7-22/h5-6,9-11,21,23H,4,8,12-13H2,1-3H3