4-[[5-(diethoxymethyl)-2-sulfanylidene-1,3-dithiol-4-yl]methylamino]benzenecarbonitrile

Systemtic Name: 4-[[5-(diethoxymethyl)-2-sulfanylidene-1,3-dithiol-4-yl]methylamino]benzenecarbonitrile Openeye Name: 4-[[5-(diethoxymethyl)-2-thioxo-1,3-dithiol-4-yl]methylamino]benzonitrile CAS Name: 4-[[5-(diethoxymethyl)-2-sulfanylidene-1,3-dithiol-4-yl]methylamino]benzonitrile IUPAC Name: 4-[[5-(diethoxymethyl)-2-sulfanylidene-1,3-dithiol-4-yl]methylamino]benzonitrile Traditional Name: 4-[[5-(diethoxymethyl)-2-thioxo-1,3-dithiol-4-yl]methylamino]benzonitrile Formula: C16H18N2O2S3 MolecularWeight: 366.52132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C1=C(SC(=S)S1)CNC2=CC=C(C=C2)C#N)OCC

Isomeric SMILES

CCOC(C1=C(SC(=S)S1)CNC2=CC=C(C=C2)C#N)OCC

InChI

InChI=1S/C16H18N2O2S3/c1-3-19-15(20-4-2)14-13(22-16(21)23-14)10-18-12-7-5-11(9-17)6-8-12/h5-8,15,18H,3-4,10H2,1-2H3