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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=C(C=CC(=C2)C3=CC=C(N3C)C#N)NC(=S)O1)C

Isomeric SMILES

CCC1(C2=C(C=CC(=C2)C3=CC=C(N3C)C#N)NC(=S)O1)C

InChI

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