1-(2-cyanoethyl)-3-ethyl-1-(phenylmethyl)thiourea

Systemtic Name: 1-(2-cyanoethyl)-3-ethyl-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-1-(2-cyanoethyl)-3-ethyl-thiourea CAS Name: 1-(2-cyanoethyl)-3-ethyl-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-1-(2-cyanoethyl)-3-ethylthiourea Traditional Name: 1-benzyl-1-(2-cyanoethyl)-3-ethyl-thiourea Formula: C13H17N3S MolecularWeight: 247.35918

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N(CCC#N)CC1=CC=CC=C1

Isomeric SMILES

CCNC(=S)N(CCC#N)CC1=CC=CC=C1

InChI

InChI=1S/C13H17N3S/c1-2-15-13(17)16(10-6-9-14)11-12-7-4-3-5-8-12/h3-5,7-8H,2,6,10-11H2,1H3,(H,15,17)