5-(phenylmethyl)-4-sulfanylidene-6-(trifluoromethyl)-1H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile

Systemtic Name: 5-(phenylmethyl)-4-sulfanylidene-6-(trifluoromethyl)-1H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile Openeye Name: 5-benzyl-4-thioxo-6-(trifluoromethyl)-1H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile CAS Name: 5-(phenylmethyl)-4-sulfanylidene-6-(trifluoromethyl)-1H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile IUPAC Name: 5-benzyl-4-sulfanylidene-6-(trifluoromethyl)-1H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile Traditional Name: 5-benzyl-4-thioxo-6-(trifluoromethyl)-1H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile Formula: C15H9F3N4S MolecularWeight: 334.31897

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=C2C(F)(F)F)C#N)NC=NC3=S

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=C2C(F)(F)F)C#N)NC=NC3=S

InChI

InChI=1S/C15H9F3N4S/c16-15(17,18)13-10(6-19)11-12(14(23)21-8-20-11)22(13)7-9-4-2-1-3-5-9/h1-5,8H,7H2,(H,20,21,23)