1-(azepan-1-yl)-2-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]sulfanyl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]sulfanyl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-(3-nitrophenyl)thiazol-2-yl]sulfanyl-ethanone CAS Name: 1-(1-azepanyl)-2-[[4-(3-nitrophenyl)-2-thiazolyl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]sulfanyl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[[4-(3-nitrophenyl)thiazol-2-yl]thio]ethanone Formula: C17H19N3O3S2 MolecularWeight: 377.48106

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O3S2/c21-16(19-8-3-1-2-4-9-19)12-25-17-18-15(11-24-17)13-6-5-7-14(10-13)20(22)23/h5-7,10-11H,1-4,8-9,12H2