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

Systemtic Name: N-[[1-(cyanomethyl)indol-3-yl]methylideneamino]-2-(4-nitrophenyl)sulfanyl-ethanamide Openeye Name: N-[[1-(cyanomethyl)indol-3-yl]methyleneamino]-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: N-[[1-(cyanomethyl)-3-indolyl]methylideneamino]-2-[(4-nitrophenyl)thio]acetamide IUPAC Name: N-[[1-(cyanomethyl)indol-3-yl]methylideneamino]-2-(4-nitrophenyl)sulfanylacetamide Traditional Name: N-[[1-(cyanomethyl)indol-3-yl]methyleneamino]-2-[(4-nitrophenyl)thio]acetamide Formula: C19H15N5O3S MolecularWeight: 393.4191

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CC#N)C=NNC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CC#N)C=NNC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H15N5O3S/c20-9-10-23-12-14(17-3-1-2-4-18(17)23)11-21-22-19(25)13-28-16-7-5-15(6-8-16)24(26)27/h1-8,11-12H,10,13H2,(H,22,25)