N,N-dicyclohexyl-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N,N-dicyclohexyl-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dicyclohexyl-acetamide CAS Name: N,N-dicyclohexyl-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N,N-dicyclohexyl-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N,N-dicyclohexyl-acetamide Formula: C25H34N4OS MolecularWeight: 438.62866

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)N(C2CCCCC2)C3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)N(C2CCCCC2)C3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C25H34N4OS/c1-2-18-28-24(20-12-6-3-7-13-20)26-27-25(28)31-19-23(30)29(21-14-8-4-9-15-21)22-16-10-5-11-17-22/h2-3,6-7,12-13,21-22H,1,4-5,8-11,14-19H2