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

Systemtic Name: 2-[[5-(4-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 2-[[4-allyl-5-(4-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 2-[[5-(4-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 2-[[5-(4-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 2-[[4-allyl-5-(4-bromophenyl)-1,2,4-triazol-3-yl]thio]propionitrile Formula: C14H13BrN4S MolecularWeight: 349.24882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)SC1=NN=C(N1CC=C)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C#N)SC1=NN=C(N1CC=C)C2=CC=C(C=C2)Br

InChI

InChI=1S/C14H13BrN4S/c1-3-8-19-13(11-4-6-12(15)7-5-11)17-18-14(19)20-10(2)9-16/h3-7,10H,1,8H2,2H3