2-[[1-(4-chlorophenyl)sulfonyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-3-yl]methylsulfanyl]-3-phenyl-quinazolin-4-one

Systemtic Name: 2-[[1-(4-chlorophenyl)sulfonyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-3-yl]methylsulfanyl]-3-phenyl-quinazolin-4-one Openeye Name: 2-[[1-(4-chlorophenyl)sulfonyl-4-phenyl-5-thioxo-1,2,4-triazol-3-yl]methylsulfanyl]-3-phenyl-quinazolin-4-one CAS Name: 2-[[1-(4-chlorophenyl)sulfonyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-3-yl]methylthio]-3-phenyl-4-quinazolinone IUPAC Name: 2-[[1-(4-chlorophenyl)sulfonyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-3-yl]methylsulfanyl]-3-phenylquinazolin-4-one Traditional Name: 2-[[1-(4-chlorophenyl)sulfonyl-4-phenyl-5-thioxo-1,2,4-triazol-3-yl]methylthio]-3-phenyl-quinazolin-4-one Formula: C29H20ClN5O3S3 MolecularWeight: 618.1488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN(C2=S)S(=O)(=O)C3=CC=C(C=C3)Cl)CSC4=NC5=CC=CC=C5C(=O)N4C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN(C2=S)S(=O)(=O)C3=CC=C(C=C3)Cl)CSC4=NC5=CC=CC=C5C(=O)N4C6=CC=CC=C6

InChI

InChI=1S/C29H20ClN5O3S3/c30-20-15-17-23(18-16-20)41(37,38)35-29(39)33(21-9-3-1-4-10-21)26(32-35)19-40-28-31-25-14-8-7-13-24(25)27(36)34(28)22-11-5-2-6-12-22/h1-18H,19H2