1-(4-chloranyl-2-cyano-phenyl)-3-phenethyl-thiourea

Systemtic Name: 1-(4-chloranyl-2-cyano-phenyl)-3-phenethyl-thiourea Openeye Name: 1-(4-chloro-2-cyano-phenyl)-3-phenethyl-thiourea CAS Name: 1-(4-chloro-2-cyanophenyl)-3-phenethylthiourea IUPAC Name: 1-(4-chloro-2-cyanophenyl)-3-phenethylthiourea Traditional Name: 1-(4-chloro-2-cyano-phenyl)-3-phenethyl-thiourea Formula: C16H14ClN3S MolecularWeight: 315.82046

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=S)NC2=C(C=C(C=C2)Cl)C#N

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=S)NC2=C(C=C(C=C2)Cl)C#N

InChI

InChI=1S/C16H14ClN3S/c17-14-6-7-15(13(10-14)11-18)20-16(21)19-9-8-12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H2,19,20,21)