4-(1-phenylpyrazol-4-yl)-N-[2-(2H-1,2,3-triazol-4-ylsulfanyl)ethyl]pyrimidin-2-amine

Systemtic Name: 4-(1-phenylpyrazol-4-yl)-N-[2-(2H-1,2,3-triazol-4-ylsulfanyl)ethyl]pyrimidin-2-amine Openeye Name: 4-(1-phenylpyrazol-4-yl)-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]pyrimidin-2-amine CAS Name: 4-(1-phenyl-4-pyrazolyl)-N-[2-(2H-triazol-4-ylthio)ethyl]-2-pyrimidinamine IUPAC Name: 4-(1-phenylpyrazol-4-yl)-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]pyrimidin-2-amine Traditional Name: [4-(1-phenylpyrazol-4-yl)pyrimidin-2-yl]-[2-(2H-triazol-4-ylthio)ethyl]amine Formula: C17H16N8S MolecularWeight: 364.42754

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)C3=NC(=NC=C3)NCCSC4=NNN=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)C3=NC(=NC=C3)NCCSC4=NNN=C4

InChI

InChI=1S/C17H16N8S/c1-2-4-14(5-3-1)25-12-13(10-21-25)15-6-7-18-17(22-15)19-8-9-26-16-11-20-24-23-16/h1-7,10-12H,8-9H2,(H,18,19,22)(H,20,23,24)