1-[3-[(4-chloranylpyrazol-1-yl)methyl]phenyl]-3-methyl-thiourea

Systemtic Name: 1-[3-[(4-chloranylpyrazol-1-yl)methyl]phenyl]-3-methyl-thiourea Openeye Name: 1-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-3-methyl-thiourea CAS Name: 1-[3-[(4-chloro-1-pyrazolyl)methyl]phenyl]-3-methylthiourea IUPAC Name: 1-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-3-methylthiourea Traditional Name: 1-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-3-methyl-thiourea Formula: C12H13ClN4S MolecularWeight: 280.77642

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NC1=CC=CC(=C1)CN2C=C(C=N2)Cl

Isomeric SMILES

CNC(=S)NC1=CC=CC(=C1)CN2C=C(C=N2)Cl

InChI

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