1-[(3-chloranyl-4-methyl-phenyl)methyl]-3-(3-cyanophenyl)thiourea

Systemtic Name: 1-[(3-chloranyl-4-methyl-phenyl)methyl]-3-(3-cyanophenyl)thiourea Openeye Name: 1-[(3-chloro-4-methyl-phenyl)methyl]-3-(3-cyanophenyl)thiourea CAS Name: 1-[(3-chloro-4-methylphenyl)methyl]-3-(3-cyanophenyl)thiourea IUPAC Name: 1-[(3-chloro-4-methylphenyl)methyl]-3-(3-cyanophenyl)thiourea Traditional Name: 1-(3-chloro-4-methyl-benzyl)-3-(3-cyanophenyl)thiourea Formula: C16H14ClN3S MolecularWeight: 315.82046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=S)NC2=CC=CC(=C2)C#N)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=S)NC2=CC=CC(=C2)C#N)Cl

InChI

InChI=1S/C16H14ClN3S/c1-11-5-6-13(8-15(11)17)10-19-16(21)20-14-4-2-3-12(7-14)9-18/h2-8H,10H2,1H3,(H2,19,20,21)