4-azanyl-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]pyrimidine-5-carbonitrile Formula: C13H10N8S MolecularWeight: 310.3371

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC2=NC=C(C(=N2)N)C#N)C3=CC=NC=C3

Isomeric SMILES

CN1C(=NN=C1SC2=NC=C(C(=N2)N)C#N)C3=CC=NC=C3

InChI

InChI=1S/C13H10N8S/c1-21-11(8-2-4-16-5-3-8)19-20-13(21)22-12-17-7-9(6-14)10(15)18-12/h2-5,7H,1H3,(H2,15,17,18)