1-(4-chlorophenyl)-3-[(1-methylpyrazol-4-yl)methyl]thiourea

Systemtic Name: 1-(4-chlorophenyl)-3-[(1-methylpyrazol-4-yl)methyl]thiourea Openeye Name: 1-(4-chlorophenyl)-3-[(1-methylpyrazol-4-yl)methyl]thiourea CAS Name: 1-(4-chlorophenyl)-3-[(1-methyl-4-pyrazolyl)methyl]thiourea IUPAC Name: 1-(4-chlorophenyl)-3-[(1-methylpyrazol-4-yl)methyl]thiourea Traditional Name: 1-(4-chlorophenyl)-3-[(1-methylpyrazol-4-yl)methyl]thiourea Formula: C12H13ClN4S MolecularWeight: 280.77642

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CNC(=S)NC2=CC=C(C=C2)Cl

Isomeric SMILES

CN1C=C(C=N1)CNC(=S)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H13ClN4S/c1-17-8-9(7-15-17)6-14-12(18)16-11-4-2-10(13)3-5-11/h2-5,7-8H,6H2,1H3,(H2,14,16,18)