1-[(3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridin-4-yl)carbonylamino]-3-(2,4-dichlorophenyl)thiourea

Systemtic Name: 1-[(3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridin-4-yl)carbonylamino]-3-(2,4-dichlorophenyl)thiourea Openeye Name: 1-[(3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carbonyl)amino]-3-(2,4-dichlorophenyl)thiourea CAS Name: 1-[[[3-cyano-6-cyclopropyl-2-(methylthio)-4-pyridinyl]-oxomethyl]amino]-3-(2,4-dichlorophenyl)thiourea IUPAC Name: 1-[(3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carbonyl)amino]-3-(2,4-dichlorophenyl)thiourea Traditional Name: 1-[[3-cyano-6-cyclopropyl-2-(methylthio)isonicotinoyl]amino]-3-(2,4-dichlorophenyl)thiourea Formula: C18H15Cl2N5OS2 MolecularWeight: 452.3806

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=CC(=N1)C2CC2)C(=O)NNC(=S)NC3=C(C=C(C=C3)Cl)Cl)C#N

Isomeric SMILES

CSC1=C(C(=CC(=N1)C2CC2)C(=O)NNC(=S)NC3=C(C=C(C=C3)Cl)Cl)C#N

InChI

InChI=1S/C18H15Cl2N5OS2/c1-28-17-12(8-21)11(7-15(22-17)9-2-3-9)16(26)24-25-18(27)23-14-5-4-10(19)6-13(14)20/h4-7,9H,2-3H2,1H3,(H,24,26)(H2,23,25,27)