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

Systemtic Name: 4-[[5-(5-bromanylfuran-2-yl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Openeye Name: 4-[[4-benzyl-5-(5-bromo-2-furyl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile CAS Name: 4-[[5-(5-bromo-2-furanyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]butanenitrile IUPAC Name: 4-[[4-benzyl-5-(5-bromofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Traditional Name: 4-[[4-benzyl-5-(5-bromo-2-furyl)-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C17H15BrN4OS MolecularWeight: 403.2962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCCCC#N)C3=CC=C(O3)Br

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCCCC#N)C3=CC=C(O3)Br

InChI

InChI=1S/C17H15BrN4OS/c18-15-9-8-14(23-15)16-20-21-17(24-11-5-4-10-19)22(16)12-13-6-2-1-3-7-13/h1-3,6-9H,4-5,11-12H2