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

Systemtic Name: (2R)-2-[[4-azanyl-5-(3-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: (2R)-2-[[4-amino-5-(3-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: (2R)-2-[[4-amino-5-(3-bromophenyl)-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: (2R)-2-[[4-amino-5-(3-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: (2R)-2-[[4-amino-5-(3-bromophenyl)-1,2,4-triazol-3-yl]thio]propionitrile Formula: C11H10BrN5S MolecularWeight: 324.1996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)SC1=NN=C(N1N)C2=CC(=CC=C2)Br

Isomeric SMILES

C[C@H](C#N)SC1=NN=C(N1N)C2=CC(=CC=C2)Br

InChI

InChI=1S/C11H10BrN5S/c1-7(6-13)18-11-16-15-10(17(11)14)8-3-2-4-9(12)5-8/h2-5,7H,14H2,1H3/t7-/m1/s1