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

Systemtic Name: 5-(4,4-dimethyl-2-sulfanylidene-1H-3,1-benzoxazin-6-yl)-4-methyl-thiophene-2-carbonitrile Openeye Name: 5-(4,4-dimethyl-2-thioxo-1H-3,1-benzoxazin-6-yl)-4-methyl-thiophene-2-carbonitrile CAS Name: 5-(4,4-dimethyl-2-sulfanylidene-1H-3,1-benzoxazin-6-yl)-4-methyl-2-thiophenecarbonitrile IUPAC Name: 5-(4,4-dimethyl-2-sulfanylidene-1H-3,1-benzoxazin-6-yl)-4-methylthiophene-2-carbonitrile Traditional Name: 5-(4,4-dimethyl-2-thioxo-1H-3,1-benzoxazin-6-yl)-4-methyl-thiophene-2-carbonitrile Formula: C16H14N2OS2 MolecularWeight: 314.42516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)C#N)C2=CC3=C(C=C2)NC(=S)OC3(C)C

Isomeric SMILES

CC1=C(SC(=C1)C#N)C2=CC3=C(C=C2)NC(=S)OC3(C)C

InChI

InChI=1S/C16H14N2OS2/c1-9-6-11(8-17)21-14(9)10-4-5-13-12(7-10)16(2,3)19-15(20)18-13/h4-7H,1-3H3,(H,18,20)