2-[[5-(5-bromanylfuran-2-yl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carbonitrile

Systemtic Name: 2-[[5-(5-bromanylfuran-2-yl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carbonitrile Openeye Name: 2-[[4-benzyl-5-(5-bromo-2-furyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carbonitrile CAS Name: 2-[[5-(5-bromo-2-furanyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-3-pyridinecarbonitrile IUPAC Name: 2-[[4-benzyl-5-(5-bromofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carbonitrile Traditional Name: 2-[[4-benzyl-5-(5-bromo-2-furyl)-1,2,4-triazol-3-yl]thio]nicotinonitrile Formula: C19H12BrN5OS MolecularWeight: 438.30048

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SC3=C(C=CC=N3)C#N)C4=CC=C(O4)Br

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SC3=C(C=CC=N3)C#N)C4=CC=C(O4)Br

InChI

InChI=1S/C19H12BrN5OS/c20-16-9-8-15(26-16)17-23-24-19(25(17)12-13-5-2-1-3-6-13)27-18-14(11-21)7-4-10-22-18/h1-10H,12H2