(4-cyanophenyl)methyl N'-tert-butylcarbamimidothioate

Systemtic Name: (4-cyanophenyl)methyl N'-tert-butylcarbamimidothioate Openeye Name: 3-tert-butyl-2-[(4-cyanophenyl)methyl]isothiourea CAS Name: N'-tert-butylcarbamimidothioic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl N'-tert-butylcarbamimidothioate Traditional Name: 3-tert-butyl-2-(4-cyanobenzyl)isothiourea Formula: C13H17N3S MolecularWeight: 247.35918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N=C(N)SCC1=CC=C(C=C1)C#N

Isomeric SMILES

CC(C)(C)N=C(N)SCC1=CC=C(C=C1)C#N

InChI

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