2-[[5-(4-bromophenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile

Systemtic Name: 2-[[5-(4-bromophenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[5-(4-bromophenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[5-(4-bromophenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[5-(4-bromophenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[5-(4-bromophenyl)-4-p-phenetyl-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C18H15BrN4OS MolecularWeight: 415.3069

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC#N)C3=CC=C(C=C3)Br

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC#N)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H15BrN4OS/c1-2-24-16-9-7-15(8-10-16)23-17(13-3-5-14(19)6-4-13)21-22-18(23)25-12-11-20/h3-10H,2,12H2,1H3