1-(4-cyanophenyl)-3-(2,2-dimethylpropyl)thiourea

Systemtic Name: 1-(4-cyanophenyl)-3-(2,2-dimethylpropyl)thiourea Openeye Name: 1-(4-cyanophenyl)-3-(2,2-dimethylpropyl)thiourea CAS Name: 1-(4-cyanophenyl)-3-(2,2-dimethylpropyl)thiourea IUPAC Name: 1-(4-cyanophenyl)-3-(2,2-dimethylpropyl)thiourea Traditional Name: 1-(4-cyanophenyl)-3-neopentyl-thiourea Formula: C13H17N3S MolecularWeight: 247.35918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNC(=S)NC1=CC=C(C=C1)C#N

Isomeric SMILES

CC(C)(C)CNC(=S)NC1=CC=C(C=C1)C#N

InChI

InChI=1S/C13H17N3S/c1-13(2,3)9-15-12(17)16-11-6-4-10(8-14)5-7-11/h4-7H,9H2,1-3H3,(H2,15,16,17)