5-[(4-azanylquinazolin-2-yl)methylsulfanyl]-3-(4-chlorophenyl)-1,3,4-thiadiazole-2-thione

Systemtic Name: 5-[(4-azanylquinazolin-2-yl)methylsulfanyl]-3-(4-chlorophenyl)-1,3,4-thiadiazole-2-thione Openeye Name: 5-[(4-aminoquinazolin-2-yl)methylsulfanyl]-3-(4-chlorophenyl)-1,3,4-thiadiazole-2-thione CAS Name: 5-[(4-amino-2-quinazolinyl)methylthio]-3-(4-chlorophenyl)-1,3,4-thiadiazole-2-thione IUPAC Name: 5-[(4-aminoquinazolin-2-yl)methylsulfanyl]-3-(4-chlorophenyl)-1,3,4-thiadiazole-2-thione Traditional Name: 5-[(4-aminoquinazolin-2-yl)methylthio]-3-(4-chlorophenyl)-1,3,4-thiadiazole-2-thione Formula: C17H12ClN5S3 MolecularWeight: 417.95868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)CSC3=NN(C(=S)S3)C4=CC=C(C=C4)Cl)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)CSC3=NN(C(=S)S3)C4=CC=C(C=C4)Cl)N

InChI

InChI=1S/C17H12ClN5S3/c18-10-5-7-11(8-6-10)23-17(24)26-16(22-23)25-9-14-20-13-4-2-1-3-12(13)15(19)21-14/h1-8H,9H2,(H2,19,20,21)