5-(4,4-dimethyl-2-sulfanylidene-1H-3,1-benzoxazin-6-yl)-1-ethyl-pyrrole-2-carbonitrile

Systemtic Name: 5-(4,4-dimethyl-2-sulfanylidene-1H-3,1-benzoxazin-6-yl)-1-ethyl-pyrrole-2-carbonitrile Openeye Name: 5-(4,4-dimethyl-2-thioxo-1H-3,1-benzoxazin-6-yl)-1-ethyl-pyrrole-2-carbonitrile CAS Name: 5-(4,4-dimethyl-2-sulfanylidene-1H-3,1-benzoxazin-6-yl)-1-ethyl-2-pyrrolecarbonitrile IUPAC Name: 5-(4,4-dimethyl-2-sulfanylidene-1H-3,1-benzoxazin-6-yl)-1-ethylpyrrole-2-carbonitrile Traditional Name: 5-(4,4-dimethyl-2-thioxo-1H-3,1-benzoxazin-6-yl)-1-ethyl-pyrrole-2-carbonitrile Formula: C17H17N3OS MolecularWeight: 311.40138

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC=C1C2=CC3=C(C=C2)NC(=S)OC3(C)C)C#N

Isomeric SMILES

CCN1C(=CC=C1C2=CC3=C(C=C2)NC(=S)OC3(C)C)C#N

InChI

InChI=1S/C17H17N3OS/c1-4-20-12(10-18)6-8-15(20)11-5-7-14-13(9-11)17(2,3)21-16(22)19-14/h5-9H,4H2,1-3H3,(H,19,22)