1-(3-cyano-4-methyl-phenyl)-3-(phenylmethyl)thiourea

Systemtic Name: 1-(3-cyano-4-methyl-phenyl)-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-(3-cyano-4-methyl-phenyl)thiourea CAS Name: 1-(3-cyano-4-methylphenyl)-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-(3-cyano-4-methylphenyl)thiourea Traditional Name: 1-benzyl-3-(3-cyano-4-methyl-phenyl)thiourea Formula: C16H15N3S MolecularWeight: 281.3754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NCC2=CC=CC=C2)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NCC2=CC=CC=C2)C#N

InChI

InChI=1S/C16H15N3S/c1-12-7-8-15(9-14(12)10-17)19-16(20)18-11-13-5-3-2-4-6-13/h2-9H,11H2,1H3,(H2,18,19,20)