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

Systemtic Name: 5-(4,4-dimethyl-2-sulfanylidene-1H-3,1-benzoxazin-6-yl)-1H-pyrrole-2-carbonitrile Openeye Name: 5-(4,4-dimethyl-2-thioxo-1H-3,1-benzoxazin-6-yl)-1H-pyrrole-2-carbonitrile CAS Name: 5-(4,4-dimethyl-2-sulfanylidene-1H-3,1-benzoxazin-6-yl)-1H-pyrrole-2-carbonitrile IUPAC Name: 5-(4,4-dimethyl-2-sulfanylidene-1H-3,1-benzoxazin-6-yl)-1H-pyrrole-2-carbonitrile Traditional Name: 5-(4,4-dimethyl-2-thioxo-1H-3,1-benzoxazin-6-yl)-1H-pyrrole-2-carbonitrile Formula: C15H13N3OS MolecularWeight: 283.34822

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)C3=CC=C(N3)C#N)NC(=S)O1)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2)C3=CC=C(N3)C#N)NC(=S)O1)C

InChI

InChI=1S/C15H13N3OS/c1-15(2)11-7-9(12-6-4-10(8-16)17-12)3-5-13(11)18-14(20)19-15/h3-7,17H,1-2H3,(H,18,20)