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

Systemtic Name: 3-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 3-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 3-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 3-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 3-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]propionitrile Formula: C19H17BrN4S MolecularWeight: 413.33408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NN=C2SCCC#N)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NN=C2SCCC#N)C3=CC=C(C=C3)Br

InChI

InChI=1S/C19H17BrN4S/c20-17-9-7-16(8-10-17)18-22-23-19(25-14-4-12-21)24(18)13-11-15-5-2-1-3-6-15/h1-3,5-10H,4,11,13-14H2