N-[(2-methoxyphenyl)methyl]-N-[5-(phenylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]pentanamide

Systemtic Name: N-[(2-methoxyphenyl)methyl]-N-[5-(phenylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]pentanamide Openeye Name: N-(4-allyl-5-benzylsulfanyl-1,2,4-triazol-3-yl)-N-[(2-methoxyphenyl)methyl]pentanamide CAS Name: N-[(2-methoxyphenyl)methyl]-N-[5-(phenylmethylthio)-4-prop-2-enyl-1,2,4-triazol-3-yl]pentanamide IUPAC Name: N-(5-benzylsulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl)-N-[(2-methoxyphenyl)methyl]pentanamide Traditional Name: N-[4-allyl-5-(benzylthio)-1,2,4-triazol-3-yl]-N-o-anisyl-valeramide Formula: C25H30N4O2S MolecularWeight: 450.5963

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CC1=CC=CC=C1OC)C2=NN=C(N2CC=C)SCC3=CC=CC=C3

Isomeric SMILES

CCCCC(=O)N(CC1=CC=CC=C1OC)C2=NN=C(N2CC=C)SCC3=CC=CC=C3

InChI

InChI=1S/C25H30N4O2S/c1-4-6-16-23(30)29(18-21-14-10-11-15-22(21)31-3)24-26-27-25(28(24)17-5-2)32-19-20-12-8-7-9-13-20/h5,7-15H,2,4,6,16-19H2,1,3H3