1-(azepan-1-yl)-2-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone Openeye Name: 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(azepan-1-yl)ethanone CAS Name: 2-[(5-anilino-1,3,4-thiadiazol-2-yl)thio]-1-(1-azepanyl)ethanone IUPAC Name: 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(azepan-1-yl)ethanone Traditional Name: 2-[(5-anilino-1,3,4-thiadiazol-2-yl)thio]-1-(azepan-1-yl)ethanone Formula: C16H20N4OS2 MolecularWeight: 348.4862

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NN=C(S2)NC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NN=C(S2)NC3=CC=CC=C3

InChI

InChI=1S/C16H20N4OS2/c21-14(20-10-6-1-2-7-11-20)12-22-16-19-18-15(23-16)17-13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12H2,(H,17,18)