5-azanyl-7-phenyl-2-(phenylmethylsulfanyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile

Systemtic Name: 5-azanyl-7-phenyl-2-(phenylmethylsulfanyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile Openeye Name: 5-amino-2-benzylsulfanyl-7-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile CAS Name: 5-amino-7-phenyl-2-(phenylmethylthio)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile IUPAC Name: 5-amino-2-benzylsulfanyl-7-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile Traditional Name: 5-amino-2-(benzylthio)-7-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile Formula: C19H16N6S MolecularWeight: 360.43554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC3=NC(=C(C(N3N2)C4=CC=CC=C4)C#N)N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC3=NC(=C(C(N3N2)C4=CC=CC=C4)C#N)N

InChI

InChI=1S/C19H16N6S/c20-11-15-16(14-9-5-2-6-10-14)25-18(22-17(15)21)23-19(24-25)26-12-13-7-3-1-4-8-13/h1-10,16H,12,21H2,(H,22,23,24)