3-[[5-(4-bromophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile

Systemtic Name: 3-[[5-(4-bromophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 3-[[5-(4-bromophenyl)-4-(2-furylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 3-[[5-(4-bromophenyl)-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 3-[[5-(4-bromophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 3-[[5-(4-bromophenyl)-4-(2-furfuryl)-1,2,4-triazol-3-yl]thio]propionitrile Formula: C16H13BrN4OS MolecularWeight: 389.26962

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CN2C(=NN=C2SCCC#N)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=COC(=C1)CN2C(=NN=C2SCCC#N)C3=CC=C(C=C3)Br

InChI

InChI=1S/C16H13BrN4OS/c17-13-6-4-12(5-7-13)15-19-20-16(23-10-2-8-18)21(15)11-14-3-1-9-22-14/h1,3-7,9H,2,10-11H2