2-[[5-[(3-chlorophenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[5-[(3-chlorophenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[5-(3-chloroanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[5-(3-chloroanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[5-(3-chloroanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[5-(3-chloroanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]-1H-quinazolin-4-one Formula: C17H12ClN5OS2 MolecularWeight: 401.89308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)CSC3=NN=C(S3)NC4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)CSC3=NN=C(S3)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C17H12ClN5OS2/c18-10-4-3-5-11(8-10)19-16-22-23-17(26-16)25-9-14-20-13-7-2-1-6-12(13)15(24)21-14/h1-8H,9H2,(H,19,22)(H,20,21,24)