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

Systemtic Name: 1-[4-cyano-5-methyl-1-[4-(phenylmethyl)phthalazin-1-yl]pyrazol-3-yl]-3-(4-methylphenyl)thiourea Openeye Name: 1-[1-(4-benzylphthalazin-1-yl)-4-cyano-5-methyl-pyrazol-3-yl]-3-(p-tolyl)thiourea CAS Name: 1-[4-cyano-5-methyl-1-[4-(phenylmethyl)-1-phthalazinyl]-3-pyrazolyl]-3-(4-methylphenyl)thiourea IUPAC Name: 1-[1-(4-benzylphthalazin-1-yl)-4-cyano-5-methylpyrazol-3-yl]-3-(4-methylphenyl)thiourea Traditional Name: 1-[1-(4-benzylphthalazin-1-yl)-4-cyano-5-methyl-pyrazol-3-yl]-3-(p-tolyl)thiourea Formula: C28H23N7S MolecularWeight: 489.59412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NC2=NN(C(=C2C#N)C)C3=NN=C(C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NC2=NN(C(=C2C#N)C)C3=NN=C(C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C28H23N7S/c1-18-12-14-21(15-13-18)30-28(36)31-26-24(17-29)19(2)35(34-26)27-23-11-7-6-10-22(23)25(32-33-27)16-20-8-4-3-5-9-20/h3-15H,16H2,1-2H3,(H2,30,31,34,36)