5-[[3-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)propylamino]methyl]thiophene-2-carbonitrile

Systemtic Name: 5-[[3-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)propylamino]methyl]thiophene-2-carbonitrile Openeye Name: 5-[[3-(1,2-dimethyl-5-oxo-phenothiazin-10-yl)propylamino]methyl]thiophene-2-carbonitrile CAS Name: 5-[[3-(1,2-dimethyl-5-oxo-10-phenothiazinyl)propylamino]methyl]-2-thiophenecarbonitrile IUPAC Name: 5-[[3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propylamino]methyl]thiophene-2-carbonitrile Traditional Name: 5-[[3-(5-keto-1,2-dimethyl-phenothiazin-10-yl)propylamino]methyl]thiophene-2-carbonitrile Formula: C23H23N3OS2 MolecularWeight: 421.57822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)S(=O)C3=CC=CC=C3N2CCCNCC4=CC=C(S4)C#N)C

Isomeric SMILES

CC1=C(C2=C(C=C1)S(=O)C3=CC=CC=C3N2CCCNCC4=CC=C(S4)C#N)C

InChI

InChI=1S/C23H23N3OS2/c1-16-8-11-22-23(17(16)2)26(20-6-3-4-7-21(20)29(22)27)13-5-12-25-15-19-10-9-18(14-24)28-19/h3-4,6-11,25H,5,12-13,15H2,1-2H3