6-azanyl-8-(4-chlorophenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazepine-7-carbonitrile

Systemtic Name: 6-azanyl-8-(4-chlorophenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazepine-7-carbonitrile Openeye Name: 6-amino-8-(4-chlorophenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazepine-7-carbonitrile CAS Name: 6-amino-8-(4-chlorophenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazepine-7-carbonitrile IUPAC Name: 6-amino-8-(4-chlorophenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazepine-7-carbonitrile Traditional Name: 6-amino-8-(4-chlorophenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazepine-7-carbonitrile Formula: C13H6ClF3N6S MolecularWeight: 370.74015

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C(=NN3C(=NN=C3S2)C(F)(F)F)N)C#N)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=C(C(=NN3C(=NN=C3S2)C(F)(F)F)N)C#N)Cl

InChI

InChI=1S/C13H6ClF3N6S/c14-7-3-1-6(2-4-7)9-8(5-18)10(19)22-23-11(13(15,16)17)20-21-12(23)24-9/h1-4H,(H2,19,22)