1-(3-chloranyl-2-methyl-phenyl)-3-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]thiourea

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-3-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]thiourea Openeye Name: 1-(3-chloro-2-methyl-phenyl)-3-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]thiourea CAS Name: 1-(3-chloro-2-methylphenyl)-3-[2-[(2-cyanophenyl)methylthio]ethyl]thiourea IUPAC Name: 1-(3-chloro-2-methylphenyl)-3-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]thiourea Traditional Name: 1-(3-chloro-2-methyl-phenyl)-3-[2-[(2-cyanobenzyl)thio]ethyl]thiourea Formula: C18H18ClN3S2 MolecularWeight: 375.93862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)NCCSCC2=CC=CC=C2C#N

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)NCCSCC2=CC=CC=C2C#N

InChI

InChI=1S/C18H18ClN3S2/c1-13-16(19)7-4-8-17(13)22-18(23)21-9-10-24-12-15-6-3-2-5-14(15)11-20/h2-8H,9-10,12H2,1H3,(H2,21,22,23)