5-[4-[4-(5-methylsulfanylthiophen-2-yl)quinazolin-6-yl]-1-(triphenylmethyl)pyrazol-3-yl]thiophene-2-carbonitrile

Systemtic Name: 5-[4-[4-(5-methylsulfanylthiophen-2-yl)quinazolin-6-yl]-1-(triphenylmethyl)pyrazol-3-yl]thiophene-2-carbonitrile Openeye Name: 5-[4-[4-(5-methylsulfanyl-2-thienyl)quinazolin-6-yl]-1-trityl-pyrazol-3-yl]thiophene-2-carbonitrile CAS Name: 5-[4-[4-[5-(methylthio)-2-thiophenyl]-6-quinazolinyl]-1-(triphenylmethyl)-3-pyrazolyl]-2-thiophenecarbonitrile IUPAC Name: 5-[4-[4-(5-methylsulfanylthiophen-2-yl)quinazolin-6-yl]-1-tritylpyrazol-3-yl]thiophene-2-carbonitrile Traditional Name: 5-[4-[4-[5-(methylthio)-2-thienyl]quinazolin-6-yl]-1-trityl-pyrazol-3-yl]thiophene-2-carbonitrile Formula: C40H27N5S3 MolecularWeight: 673.87088

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(S1)C2=NC=NC3=C2C=C(C=C3)C4=CN(N=C4C5=CC=C(S5)C#N)C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8

Isomeric SMILES

CSC1=CC=C(S1)C2=NC=NC3=C2C=C(C=C3)C4=CN(N=C4C5=CC=C(S5)C#N)C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8

InChI

InChI=1S/C40H27N5S3/c1-46-37-22-21-35(48-37)38-32-23-27(17-19-34(32)42-26-43-38)33-25-45(44-39(33)36-20-18-31(24-41)47-36)40(28-11-5-2-6-12-28,29-13-7-3-8-14-29)30-15-9-4-10-16-30/h2-23,25-26H,1H3