1-(3-chloranyl-2-methyl-phenyl)-3-[(3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridin-4-yl)carbonylamino]thiourea

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-3-[(3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridin-4-yl)carbonylamino]thiourea Openeye Name: 1-(3-chloro-2-methyl-phenyl)-3-[(3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carbonyl)amino]thiourea CAS Name: 1-(3-chloro-2-methylphenyl)-3-[[[3-cyano-6-cyclopropyl-2-(methylthio)-4-pyridinyl]-oxomethyl]amino]thiourea IUPAC Name: 1-(3-chloro-2-methylphenyl)-3-[(3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carbonyl)amino]thiourea Traditional Name: 1-(3-chloro-2-methyl-phenyl)-3-[[3-cyano-6-cyclopropyl-2-(methylthio)isonicotinoyl]amino]thiourea Formula: C19H18ClN5OS2 MolecularWeight: 431.96212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)NNC(=O)C2=CC(=NC(=C2C#N)SC)C3CC3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)NNC(=O)C2=CC(=NC(=C2C#N)SC)C3CC3

InChI

InChI=1S/C19H18ClN5OS2/c1-10-14(20)4-3-5-15(10)23-19(27)25-24-17(26)12-8-16(11-6-7-11)22-18(28-2)13(12)9-21/h3-5,8,11H,6-7H2,1-2H3,(H,24,26)(H2,23,25,27)