1-[(4-cyanophenyl)methyl]-3-(3-methylsulfanylphenyl)thiourea

Systemtic Name: 1-[(4-cyanophenyl)methyl]-3-(3-methylsulfanylphenyl)thiourea Openeye Name: 1-[(4-cyanophenyl)methyl]-3-(3-methylsulfanylphenyl)thiourea CAS Name: 1-[(4-cyanophenyl)methyl]-3-[3-(methylthio)phenyl]thiourea IUPAC Name: 1-[(4-cyanophenyl)methyl]-3-(3-methylsulfanylphenyl)thiourea Traditional Name: 1-(4-cyanobenzyl)-3-[3-(methylthio)phenyl]thiourea Formula: C16H15N3S2 MolecularWeight: 313.4404

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=S)NCC2=CC=C(C=C2)C#N

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=S)NCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H15N3S2/c1-21-15-4-2-3-14(9-15)19-16(20)18-11-13-7-5-12(10-17)6-8-13/h2-9H,11H2,1H3,(H2,18,19,20)