1-(azepan-1-yl)-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-one

Systemtic Name: 1-(azepan-1-yl)-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-one Openeye Name: 1-(azepan-1-yl)-2-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-one CAS Name: 1-(1-azepanyl)-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)thio]-1-propanone IUPAC Name: 1-(azepan-1-yl)-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-one Traditional Name: 1-(azepan-1-yl)-2-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)thio]propan-1-one Formula: C17H21N3OS3 MolecularWeight: 379.56314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)SC2=NN(C(=S)S2)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)N1CCCCCC1)SC2=NN(C(=S)S2)C3=CC=CC=C3

InChI

InChI=1S/C17H21N3OS3/c1-13(15(21)19-11-7-2-3-8-12-19)23-16-18-20(17(22)24-16)14-9-5-4-6-10-14/h4-6,9-10,13H,2-3,7-8,11-12H2,1H3