1-(4-bromophenyl)-3-[4-cyano-5-methyl-1-[4-(phenylmethyl)phthalazin-1-yl]pyrazol-3-yl]thiourea

Systemtic Name: 1-(4-bromophenyl)-3-[4-cyano-5-methyl-1-[4-(phenylmethyl)phthalazin-1-yl]pyrazol-3-yl]thiourea Openeye Name: 1-[1-(4-benzylphthalazin-1-yl)-4-cyano-5-methyl-pyrazol-3-yl]-3-(4-bromophenyl)thiourea CAS Name: 1-(4-bromophenyl)-3-[4-cyano-5-methyl-1-[4-(phenylmethyl)-1-phthalazinyl]-3-pyrazolyl]thiourea IUPAC Name: 1-[1-(4-benzylphthalazin-1-yl)-4-cyano-5-methylpyrazol-3-yl]-3-(4-bromophenyl)thiourea Traditional Name: 1-[1-(4-benzylphthalazin-1-yl)-4-cyano-5-methyl-pyrazol-3-yl]-3-(4-bromophenyl)thiourea Formula: C27H20BrN7S MolecularWeight: 554.4636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=NN=C(C3=CC=CC=C32)CC4=CC=CC=C4)NC(=S)NC5=CC=C(C=C5)Br)C#N

Isomeric SMILES

CC1=C(C(=NN1C2=NN=C(C3=CC=CC=C32)CC4=CC=CC=C4)NC(=S)NC5=CC=C(C=C5)Br)C#N

InChI

InChI=1S/C27H20BrN7S/c1-17-23(16-29)25(31-27(36)30-20-13-11-19(28)12-14-20)34-35(17)26-22-10-6-5-9-21(22)24(32-33-26)15-18-7-3-2-4-8-18/h2-14H,15H2,1H3,(H2,30,31,34,36)