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

Systemtic Name: 5-(4,4-dimethyl-2-sulfanylidene-1H-3,1-benzoxazin-6-yl)-1-ethyl-pyrrole-2-carbothioamide Openeye Name: 5-(4,4-dimethyl-2-thioxo-1H-3,1-benzoxazin-6-yl)-1-ethyl-pyrrole-2-carbothioamide CAS Name: 5-(4,4-dimethyl-2-sulfanylidene-1H-3,1-benzoxazin-6-yl)-1-ethyl-2-pyrrolecarbothioamide IUPAC Name: 5-(4,4-dimethyl-2-sulfanylidene-1H-3,1-benzoxazin-6-yl)-1-ethylpyrrole-2-carbothioamide Traditional Name: 5-(4,4-dimethyl-2-thioxo-1H-3,1-benzoxazin-6-yl)-1-ethyl-pyrrole-2-carbothioamide Formula: C17H19N3OS2 MolecularWeight: 345.48226

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC=C1C(=S)N)C2=CC3=C(C=C2)NC(=S)OC3(C)C

Isomeric SMILES

CCN1C(=CC=C1C(=S)N)C2=CC3=C(C=C2)NC(=S)OC3(C)C

InChI

InChI=1S/C17H19N3OS2/c1-4-20-13(7-8-14(20)15(18)22)10-5-6-12-11(9-10)17(2,3)21-16(23)19-12/h5-9H,4H2,1-3H3,(H2,18,22)(H,19,23)