N-[3-[3-(3-cyanopropylsulfanyl)-5-cyclopropyl-1,2,4-triazol-4-yl]phenyl]ethanamide

Systemtic Name: N-[3-[3-(3-cyanopropylsulfanyl)-5-cyclopropyl-1,2,4-triazol-4-yl]phenyl]ethanamide Openeye Name: N-[3-[3-(3-cyanopropylsulfanyl)-5-cyclopropyl-1,2,4-triazol-4-yl]phenyl]acetamide CAS Name: N-[3-[3-(3-cyanopropylthio)-5-cyclopropyl-1,2,4-triazol-4-yl]phenyl]acetamide IUPAC Name: N-[3-[3-(3-cyanopropylsulfanyl)-5-cyclopropyl-1,2,4-triazol-4-yl]phenyl]acetamide Traditional Name: N-[3-[3-(3-cyanopropylthio)-5-cyclopropyl-1,2,4-triazol-4-yl]phenyl]acetamide Formula: C17H19N5OS MolecularWeight: 341.43066

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)N2C(=NN=C2SCCCC#N)C3CC3

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)N2C(=NN=C2SCCCC#N)C3CC3

InChI

InChI=1S/C17H19N5OS/c1-12(23)19-14-5-4-6-15(11-14)22-16(13-7-8-13)20-21-17(22)24-10-3-2-9-18/h4-6,11,13H,2-3,7-8,10H2,1H3,(H,19,23)