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

Systemtic Name: 1-(azepan-1-yl)-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone CAS Name: 1-(1-azepanyl)-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)thio]ethanone Formula: C16H19N3OS3 MolecularWeight: 365.53656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3OS3/c20-14(18-10-6-1-2-7-11-18)12-22-15-17-19(16(21)23-15)13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12H2