3-(4,4-dimethyl-2-sulfanylidene-1H-3,1-benzoxazin-6-yl)-5-methoxy-benzenecarbonitrile

Systemtic Name: 3-(4,4-dimethyl-2-sulfanylidene-1H-3,1-benzoxazin-6-yl)-5-methoxy-benzenecarbonitrile Openeye Name: 3-(4,4-dimethyl-2-thioxo-1H-3,1-benzoxazin-6-yl)-5-methoxy-benzonitrile CAS Name: 3-(4,4-dimethyl-2-sulfanylidene-1H-3,1-benzoxazin-6-yl)-5-methoxybenzonitrile IUPAC Name: 3-(4,4-dimethyl-2-sulfanylidene-1H-3,1-benzoxazin-6-yl)-5-methoxybenzonitrile Traditional Name: 3-(4,4-dimethyl-2-thioxo-1H-3,1-benzoxazin-6-yl)-5-methoxy-benzonitrile Formula: C18H16N2O2S MolecularWeight: 324.39684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O2S/c1-18(2)15-9-12(4-5-16(15)20-17(23)22-18)13-6-11(10-19)7-14(8-13)21-3/h4-9H,1-3H3,(H,20,23)