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

Systemtic Name: 4-azanyl-2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[4-ethyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]pyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]pyrimidine-5-carbonitrile Formula: C13H11N7OS MolecularWeight: 313.33774

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC2=NC=C(C(=N2)N)C#N)C3=CC=CO3

Isomeric SMILES

CCN1C(=NN=C1SC2=NC=C(C(=N2)N)C#N)C3=CC=CO3

InChI

InChI=1S/C13H11N7OS/c1-2-20-11(9-4-3-5-21-9)18-19-13(20)22-12-16-7-8(6-14)10(15)17-12/h3-5,7H,2H2,1H3,(H2,15,16,17)