(E)-N-[(3-cyano-4,6-dimethyl-2-oxidanylidene-pyridin-1-yl)carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-[(3-cyano-4,6-dimethyl-2-oxidanylidene-pyridin-1-yl)carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[(3-cyano-4,6-dimethyl-2-oxo-1-pyridyl)carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[[(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)amino]-sulfanylidenemethyl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[(3-cyano-4,6-dimethyl-2-oxopyridin-1-yl)carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[(3-cyano-2-keto-4,6-dimethyl-1-pyridyl)thiocarbamoyl]-3-(3-nitrophenyl)acrylamide Formula: C18H15N5O4S MolecularWeight: 397.4078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)N1NC(=S)NC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-])C#N)C

Isomeric SMILES

CC1=CC(=C(C(=O)N1NC(=S)NC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-])C#N)C

InChI

InChI=1S/C18H15N5O4S/c1-11-8-12(2)22(17(25)15(11)10-19)21-18(28)20-16(24)7-6-13-4-3-5-14(9-13)23(26)27/h3-9H,1-2H3,(H2,20,21,24,28)/b7-6+