1-(3-chloranyl-5-cyano-phenyl)-3-(2-methylbutan-2-yl)thiourea

Systemtic Name: 1-(3-chloranyl-5-cyano-phenyl)-3-(2-methylbutan-2-yl)thiourea Openeye Name: 1-(3-chloro-5-cyano-phenyl)-3-(1,1-dimethylpropyl)thiourea CAS Name: 1-(3-chloro-5-cyanophenyl)-3-(2-methylbutan-2-yl)thiourea IUPAC Name: 1-(3-chloro-5-cyanophenyl)-3-(2-methylbutan-2-yl)thiourea Traditional Name: 1-tert-amyl-3-(3-chloro-5-cyano-phenyl)thiourea Formula: C13H16ClN3S MolecularWeight: 281.80424

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=S)NC1=CC(=CC(=C1)C#N)Cl

Isomeric SMILES

CCC(C)(C)NC(=S)NC1=CC(=CC(=C1)C#N)Cl

InChI

InChI=1S/C13H16ClN3S/c1-4-13(2,3)17-12(18)16-11-6-9(8-15)5-10(14)7-11/h5-7H,4H2,1-3H3,(H2,16,17,18)