1-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-3-prop-2-enyl-thiourea

Systemtic Name: 1-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]thiourea CAS Name: 1-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]-3-prop-2-enylthiourea IUPAC Name: 1-[1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[1-(4-bromobenzyl)-3,5-dimethyl-pyrazol-4-yl]thiourea Formula: C16H19BrN4S MolecularWeight: 379.31786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)Br)C)NC(=S)NCC=C

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)Br)C)NC(=S)NCC=C

InChI

InChI=1S/C16H19BrN4S/c1-4-9-18-16(22)19-15-11(2)20-21(12(15)3)10-13-5-7-14(17)8-6-13/h4-8H,1,9-10H2,2-3H3,(H2,18,19,22)