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

Systemtic Name: 4-azanyl-2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[5-(2-furanyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]thio]pyrimidine-5-carbonitrile Formula: C17H11N7OS MolecularWeight: 361.38054

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SC3=NC=C(C(=N3)N)C#N)C4=CC=CO4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SC3=NC=C(C(=N3)N)C#N)C4=CC=CO4

InChI

InChI=1S/C17H11N7OS/c18-9-11-10-20-16(21-14(11)19)26-17-23-22-15(13-7-4-8-25-13)24(17)12-5-2-1-3-6-12/h1-8,10H,(H2,19,20,21)