N-[4-[5-[(2-cyanophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]phenyl]benzamide

Systemtic Name: N-[4-[5-[(2-cyanophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]phenyl]benzamide Openeye Name: N-[4-[4-allyl-5-[(2-cyanophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]phenyl]benzamide CAS Name: N-[4-[5-[(2-cyanophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]phenyl]benzamide IUPAC Name: N-[4-[5-[(2-cyanophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]phenyl]benzamide Traditional Name: N-[4-[4-allyl-5-[(2-cyanobenzyl)thio]-1,2,4-triazol-3-yl]phenyl]benzamide Formula: C26H21N5OS MolecularWeight: 451.54284

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC=CC=C2C#N)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC=CC=C2C#N)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H21N5OS/c1-2-16-31-24(29-30-26(31)33-18-22-11-7-6-10-21(22)17-27)19-12-14-23(15-13-19)28-25(32)20-8-4-3-5-9-20/h2-15H,1,16,18H2,(H,28,32)