3-(7-chloranyl-4,4-dimethyl-2-sulfanylidene-1H-3,1-benzoxazin-6-yl)benzenecarbonitrile

Systemtic Name: 3-(7-chloranyl-4,4-dimethyl-2-sulfanylidene-1H-3,1-benzoxazin-6-yl)benzenecarbonitrile Openeye Name: 3-(7-chloro-4,4-dimethyl-2-thioxo-1H-3,1-benzoxazin-6-yl)benzonitrile CAS Name: 3-(7-chloro-4,4-dimethyl-2-sulfanylidene-1H-3,1-benzoxazin-6-yl)benzonitrile IUPAC Name: 3-(7-chloro-4,4-dimethyl-2-sulfanylidene-1H-3,1-benzoxazin-6-yl)benzonitrile Traditional Name: 3-(7-chloro-4,4-dimethyl-2-thioxo-1H-3,1-benzoxazin-6-yl)benzonitrile Formula: C17H13ClN2OS MolecularWeight: 328.81592

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=C(C(=C2)C3=CC=CC(=C3)C#N)Cl)NC(=S)O1)C

Isomeric SMILES

CC1(C2=C(C=C(C(=C2)C3=CC=CC(=C3)C#N)Cl)NC(=S)O1)C

InChI

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