N-[4-cyano-5-methyl-1-[4-(phenylmethyl)phthalazin-1-yl]pyrazol-3-yl]methanethioamide

Systemtic Name: N-[4-cyano-5-methyl-1-[4-(phenylmethyl)phthalazin-1-yl]pyrazol-3-yl]methanethioamide Openeye Name: N-[1-(4-benzylphthalazin-1-yl)-4-cyano-5-methyl-pyrazol-3-yl]thioformamide CAS Name: N-[4-cyano-5-methyl-1-[4-(phenylmethyl)-1-phthalazinyl]-3-pyrazolyl]methanethioamide IUPAC Name: N-[1-(4-benzylphthalazin-1-yl)-4-cyano-5-methylpyrazol-3-yl]methanethioamide Traditional Name: N-[1-(4-benzylphthalazin-1-yl)-4-cyano-5-methyl-pyrazol-3-yl]thioformamide Formula: C21H16N6S MolecularWeight: 384.45694

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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)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H16N6S/c1-14-18(12-22)20(23-13-28)26-27(14)21-17-10-6-5-9-16(17)19(24-25-21)11-15-7-3-2-4-8-15/h2-10,13H,11H2,1H3,(H,23,26,28)