2-sulfanylidene-5-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepine-8-carbonitrile

Systemtic Name: 2-sulfanylidene-5-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepine-8-carbonitrile Openeye Name: 2-thioxo-5-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepine-8-carbonitrile CAS Name: 2-sulfanylidene-5-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepine-8-carbonitrile IUPAC Name: 2-sulfanylidene-5-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepine-8-carbonitrile Traditional Name: 2-thioxo-5-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepine-8-carbonitrile Formula: C17H10F3N3S MolecularWeight: 345.34161

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=S)NC2=C(C=CC(=C2)C#N)C(=N1)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1C(=S)NC2=C(C=CC(=C2)C#N)C(=N1)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C17H10F3N3S/c18-17(19,20)12-4-2-11(3-5-12)16-13-6-1-10(8-21)7-14(13)23-15(24)9-22-16/h1-7H,9H2,(H,23,24)