N-[[1-(cyanomethyl)indol-3-yl]methylideneamino]-2-(4-methoxyphenyl)sulfanyl-ethanamide

Systemtic Name: N-[[1-(cyanomethyl)indol-3-yl]methylideneamino]-2-(4-methoxyphenyl)sulfanyl-ethanamide Openeye Name: N-[[1-(cyanomethyl)indol-3-yl]methyleneamino]-2-(4-methoxyphenyl)sulfanyl-acetamide CAS Name: N-[[1-(cyanomethyl)-3-indolyl]methylideneamino]-2-[(4-methoxyphenyl)thio]acetamide IUPAC Name: N-[[1-(cyanomethyl)indol-3-yl]methylideneamino]-2-(4-methoxyphenyl)sulfanylacetamide Traditional Name: N-[[1-(cyanomethyl)indol-3-yl]methyleneamino]-2-[(4-methoxyphenyl)thio]acetamide Formula: C20H18N4O2S MolecularWeight: 378.44752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCC(=O)NN=CC2=CN(C3=CC=CC=C32)CC#N

Isomeric SMILES

COC1=CC=C(C=C1)SCC(=O)NN=CC2=CN(C3=CC=CC=C32)CC#N

InChI

InChI=1S/C20H18N4O2S/c1-26-16-6-8-17(9-7-16)27-14-20(25)23-22-12-15-13-24(11-10-21)19-5-3-2-4-18(15)19/h2-9,12-13H,11,14H2,1H3,(H,23,25)