3-[[5-(4-chlorophenyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]amino]azepan-2-one

Systemtic Name: 3-[[5-(4-chlorophenyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]amino]azepan-2-one Openeye Name: 3-[[5-(4-chlorophenyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]amino]azepan-2-one CAS Name: 3-[[5-(4-chlorophenyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]amino]-2-azepanone IUPAC Name: 3-[[5-(4-chlorophenyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]amino]azepan-2-one Traditional Name: 3-[[5-(4-chlorophenyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]amino]azepan-2-one Formula: C15H17ClN4OS MolecularWeight: 336.83968

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2CCCCNC2=O)SC(=N1)C3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C(=NC2CCCCNC2=O)SC(=N1)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C15H17ClN4OS/c1-20-15(18-12-4-2-3-9-17-13(12)21)22-14(19-20)10-5-7-11(16)8-6-10/h5-8,12H,2-4,9H2,1H3,(H,17,21)