1-tert-butyl-3-(3-chloranyl-5-cyano-phenyl)thiourea

Systemtic Name: 1-tert-butyl-3-(3-chloranyl-5-cyano-phenyl)thiourea Openeye Name: 1-tert-butyl-3-(3-chloro-5-cyano-phenyl)thiourea CAS Name: 1-tert-butyl-3-(3-chloro-5-cyanophenyl)thiourea IUPAC Name: 1-tert-butyl-3-(3-chloro-5-cyanophenyl)thiourea Traditional Name: 1-tert-butyl-3-(3-chloro-5-cyano-phenyl)thiourea Formula: C12H14ClN3S MolecularWeight: 267.77766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14ClN3S/c1-12(2,3)16-11(17)15-10-5-8(7-14)4-9(13)6-10/h4-6H,1-3H3,(H2,15,16,17)