4-[4-[[4-(4-chlorophenyl)phthalazin-1-yl]amino]phenyl]sulfanylquinoline-7-carbonitrile

Systemtic Name: 4-[4-[[4-(4-chlorophenyl)phthalazin-1-yl]amino]phenyl]sulfanylquinoline-7-carbonitrile Openeye Name: 4-[4-[[4-(4-chlorophenyl)phthalazin-1-yl]amino]phenyl]sulfanylquinoline-7-carbonitrile CAS Name: 4-[[4-[[4-(4-chlorophenyl)-1-phthalazinyl]amino]phenyl]thio]-7-quinolinecarbonitrile IUPAC Name: 4-[4-[[4-(4-chlorophenyl)phthalazin-1-yl]amino]phenyl]sulfanylquinoline-7-carbonitrile Traditional Name: 4-[[4-[[4-(4-chlorophenyl)phthalazin-1-yl]amino]phenyl]thio]quinoline-7-carbonitrile Formula: C30H18ClN5S MolecularWeight: 516.01542

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN=C2NC3=CC=C(C=C3)SC4=C5C=CC(=CC5=NC=C4)C#N)C6=CC=C(C=C6)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN=C2NC3=CC=C(C=C3)SC4=C5C=CC(=CC5=NC=C4)C#N)C6=CC=C(C=C6)Cl

InChI

InChI=1S/C30H18ClN5S/c31-21-8-6-20(7-9-21)29-24-3-1-2-4-25(24)30(36-35-29)34-22-10-12-23(13-11-22)37-28-15-16-33-27-17-19(18-32)5-14-26(27)28/h1-17H,(H,34,36)