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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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