2-phenacylsulfanyl-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8-one

Systemtic Name: 2-phenacylsulfanyl-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8-one Openeye Name: 2-phenacylsulfanyl-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8-one CAS Name: 2-(phenacylthio)-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8-one IUPAC Name: 2-phenacylsulfanyl-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8-one Traditional Name: 2-(phenacylthio)-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8-one Formula: C14H13N3O2S2 MolecularWeight: 319.40192

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N=C2N(C1)N=C(S2)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CC(=O)N=C2N(C1)N=C(S2)SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C14H13N3O2S2/c18-11(10-5-2-1-3-6-10)9-20-14-16-17-8-4-7-12(19)15-13(17)21-14/h1-3,5-6H,4,7-9H2