1-[4-bromanyl-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-prop-2-enyl-thiourea

Systemtic Name: 1-[4-bromanyl-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]thiourea CAS Name: 1-[4-bromo-1-[(4-chlorophenyl)methyl]-3-pyrazolyl]-3-prop-2-enylthiourea IUPAC Name: 1-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[4-bromo-1-(4-chlorobenzyl)pyrazol-3-yl]thiourea Formula: C14H14BrClN4S MolecularWeight: 385.70976

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)NC1=NN(C=C1Br)CC2=CC=C(C=C2)Cl

Isomeric SMILES

C=CCNC(=S)NC1=NN(C=C1Br)CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H14BrClN4S/c1-2-7-17-14(21)18-13-12(15)9-20(19-13)8-10-3-5-11(16)6-4-10/h2-6,9H,1,7-8H2,(H2,17,18,19,21)