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

Systemtic Name: 4-butyl-5-(4,4-dimethyl-2-sulfanylidene-1H-3,1-benzoxazin-6-yl)thiophene-2-carbonitrile Openeye Name: 4-butyl-5-(4,4-dimethyl-2-thioxo-1H-3,1-benzoxazin-6-yl)thiophene-2-carbonitrile CAS Name: 4-butyl-5-(4,4-dimethyl-2-sulfanylidene-1H-3,1-benzoxazin-6-yl)-2-thiophenecarbonitrile IUPAC Name: 4-butyl-5-(4,4-dimethyl-2-sulfanylidene-1H-3,1-benzoxazin-6-yl)thiophene-2-carbonitrile Traditional Name: 4-butyl-5-(4,4-dimethyl-2-thioxo-1H-3,1-benzoxazin-6-yl)thiophene-2-carbonitrile Formula: C19H20N2OS2 MolecularWeight: 356.5049

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(SC(=C1)C#N)C2=CC3=C(C=C2)NC(=S)OC3(C)C

Isomeric SMILES

CCCCC1=C(SC(=C1)C#N)C2=CC3=C(C=C2)NC(=S)OC3(C)C

InChI

InChI=1S/C19H20N2OS2/c1-4-5-6-12-9-14(11-20)24-17(12)13-7-8-16-15(10-13)19(2,3)22-18(23)21-16/h7-10H,4-6H2,1-3H3,(H,21,23)