1-(azocan-1-yl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(azocan-1-yl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(azocan-1-yl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(1-azocanyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(azocan-1-yl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(azocan-1-yl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C20H26N4OS MolecularWeight: 370.51164

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)CSC2=NN(C(=N2)C3CC3)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CCC1)C(=O)CSC2=NN(C(=N2)C3CC3)C4=CC=CC=C4

InChI

InChI=1S/C20H26N4OS/c25-18(23-13-7-2-1-3-8-14-23)15-26-20-21-19(16-11-12-16)24(22-20)17-9-5-4-6-10-17/h4-6,9-10,16H,1-3,7-8,11-15H2