1-(3-chloranyl-2-methyl-phenyl)-3-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]thiourea

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-3-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]thiourea Openeye Name: 1-(3-chloro-2-methyl-phenyl)-3-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]thiourea CAS Name: 1-(3-chloro-2-methylphenyl)-3-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]thiourea IUPAC Name: 1-(3-chloro-2-methylphenyl)-3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]thiourea Traditional Name: 1-(3-chloro-2-methyl-phenyl)-3-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]thiourea Formula: C20H21ClN4S MolecularWeight: 384.92554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)NCC2=C(N(N=C2C)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)NCC2=C(N(N=C2C)C3=CC=CC=C3)C

InChI

InChI=1S/C20H21ClN4S/c1-13-18(21)10-7-11-19(13)23-20(26)22-12-17-14(2)24-25(15(17)3)16-8-5-4-6-9-16/h4-11H,12H2,1-3H3,(H2,22,23,26)