4-[3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 4-[3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-hydroxy-propoxy]benzonitrile CAS Name: 4-[3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-2-hydroxypropoxy]benzonitrile IUPAC Name: 4-[3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-hydroxypropoxy]benzonitrile Traditional Name: 4-[3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-2-hydroxy-propoxy]benzonitrile Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCC(COC4=CC=C(C=C4)C#N)O

Isomeric SMILES

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCC(COC4=CC=C(C=C4)C#N)O

InChI

InChI=1S/C21H20N4O2S/c22-12-15-6-10-19(11-7-15)27-13-18(26)14-28-21-24-23-20(16-8-9-16)25(21)17-4-2-1-3-5-17/h1-7,10-11,16,18,26H,8-9,13-14H2