3-(5-chloranyl-4-ethyl-2-sulfanylidene-1,4-dihydro-3,1-benzoxazin-6-yl)benzenecarbonitrile

Systemtic Name: 3-(5-chloranyl-4-ethyl-2-sulfanylidene-1,4-dihydro-3,1-benzoxazin-6-yl)benzenecarbonitrile Openeye Name: 3-(5-chloro-4-ethyl-2-thioxo-1,4-dihydro-3,1-benzoxazin-6-yl)benzonitrile CAS Name: 3-(5-chloro-4-ethyl-2-sulfanylidene-1,4-dihydro-3,1-benzoxazin-6-yl)benzonitrile IUPAC Name: 3-(5-chloro-4-ethyl-2-sulfanylidene-1,4-dihydro-3,1-benzoxazin-6-yl)benzonitrile Traditional Name: 3-(5-chloro-4-ethyl-2-thioxo-1,4-dihydro-3,1-benzoxazin-6-yl)benzonitrile Formula: C17H13ClN2OS MolecularWeight: 328.81592

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2=C(C=CC(=C2Cl)C3=CC=CC(=C3)C#N)NC(=S)O1

Isomeric SMILES

CCC1C2=C(C=CC(=C2Cl)C3=CC=CC(=C3)C#N)NC(=S)O1

InChI

InChI=1S/C17H13ClN2OS/c1-2-14-15-13(20-17(22)21-14)7-6-12(16(15)18)11-5-3-4-10(8-11)9-19/h3-8,14H,2H2,1H3,(H,20,22)