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

Systemtic Name: 1-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-3-[(1-methylpyrazol-4-yl)methyl]thiourea Openeye Name: 1-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-3-[(1-methylpyrazol-4-yl)methyl]thiourea CAS Name: 1-[1-[(3-chlorophenyl)methyl]-4-pyrazolyl]-3-[(1-methyl-4-pyrazolyl)methyl]thiourea IUPAC Name: 1-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-3-[(1-methylpyrazol-4-yl)methyl]thiourea Traditional Name: 1-[1-(3-chlorobenzyl)pyrazol-4-yl]-3-[(1-methylpyrazol-4-yl)methyl]thiourea Formula: C16H17ClN6S MolecularWeight: 360.86438

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CNC(=S)NC2=CN(N=C2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

CN1C=C(C=N1)CNC(=S)NC2=CN(N=C2)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C16H17ClN6S/c1-22-9-13(7-19-22)6-18-16(24)21-15-8-20-23(11-15)10-12-3-2-4-14(17)5-12/h2-5,7-9,11H,6,10H2,1H3,(H2,18,21,24)