1-methyl-5-[2-sulfanylidene-4,4-bis(trifluoromethyl)-1H-3,1-benzoxazin-6-yl]pyrrole-2-carbonitrile

Systemtic Name: 1-methyl-5-[2-sulfanylidene-4,4-bis(trifluoromethyl)-1H-3,1-benzoxazin-6-yl]pyrrole-2-carbonitrile Openeye Name: 1-methyl-5-[2-thioxo-4,4-bis(trifluoromethyl)-1H-3,1-benzoxazin-6-yl]pyrrole-2-carbonitrile CAS Name: 1-methyl-5-[2-sulfanylidene-4,4-bis(trifluoromethyl)-1H-3,1-benzoxazin-6-yl]-2-pyrrolecarbonitrile IUPAC Name: 1-methyl-5-[2-sulfanylidene-4,4-bis(trifluoromethyl)-1H-3,1-benzoxazin-6-yl]pyrrole-2-carbonitrile Traditional Name: 1-methyl-5-[2-thioxo-4,4-bis(trifluoromethyl)-1H-3,1-benzoxazin-6-yl]pyrrole-2-carbonitrile Formula: C16H9F6N3OS MolecularWeight: 405.317579

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=C1C2=CC3=C(C=C2)NC(=S)OC3(C(F)(F)F)C(F)(F)F)C#N

Isomeric SMILES

CN1C(=CC=C1C2=CC3=C(C=C2)NC(=S)OC3(C(F)(F)F)C(F)(F)F)C#N

InChI

InChI=1S/C16H9F6N3OS/c1-25-9(7-23)3-5-12(25)8-2-4-11-10(6-8)14(15(17,18)19,16(20,21)22)26-13(27)24-11/h2-6H,1H3,(H,24,27)