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

Systemtic Name: 5-(4,4-dimethyl-2-sulfanylidene-1H-3,1-benzoxazin-6-yl)-1H-pyrrole-2-carbothioamide Openeye Name: 5-(4,4-dimethyl-2-thioxo-1H-3,1-benzoxazin-6-yl)-1H-pyrrole-2-carbothioamide CAS Name: 5-(4,4-dimethyl-2-sulfanylidene-1H-3,1-benzoxazin-6-yl)-1H-pyrrole-2-carbothioamide IUPAC Name: 5-(4,4-dimethyl-2-sulfanylidene-1H-3,1-benzoxazin-6-yl)-1H-pyrrole-2-carbothioamide Traditional Name: 5-(4,4-dimethyl-2-thioxo-1H-3,1-benzoxazin-6-yl)-1H-pyrrole-2-carbothioamide Formula: C15H15N3OS2 MolecularWeight: 317.4291

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3OS2/c1-15(2)9-7-8(3-4-11(9)18-14(21)19-15)10-5-6-12(17-10)13(16)20/h3-7,17H,1-2H3,(H2,16,20)(H,18,21)