2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-chloranyl-1H-quinazolin-4-one

Systemtic Name: 2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-chloranyl-1H-quinazolin-4-one Openeye Name: 2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-chloro-1H-quinazolin-4-one CAS Name: 2-[[[5-(butylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-7-chloro-1H-quinazolin-4-one IUPAC Name: 2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-chloro-1H-quinazolin-4-one Traditional Name: 2-[[[5-(butylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-7-chloro-1H-quinazolin-4-one Formula: C15H16ClN5OS2 MolecularWeight: 381.90344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NN=C(S1)SCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl

Isomeric SMILES

CCCCNC1=NN=C(S1)SCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl

InChI

InChI=1S/C15H16ClN5OS2/c1-2-3-6-17-14-20-21-15(24-14)23-8-12-18-11-7-9(16)4-5-10(11)13(22)19-12/h4-5,7H,2-3,6,8H2,1H3,(H,17,20)(H,18,19,22)