4-[(E)-(3-cyclopentyloxy-4-methoxy-phenyl)methylideneamino]-6-methyl-3-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazin-5-one

Systemtic Name: 4-[(E)-(3-cyclopentyloxy-4-methoxy-phenyl)methylideneamino]-6-methyl-3-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazin-5-one Openeye Name: 4-[(E)-[3-(cyclopentoxy)-4-methoxy-phenyl]methyleneamino]-6-methyl-3-(3-pyridylmethylsulfanyl)-1,2,4-triazin-5-one CAS Name: 4-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]-6-methyl-3-(3-pyridinylmethylthio)-1,2,4-triazin-5-one IUPAC Name: 4-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]-6-methyl-3-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazin-5-one Traditional Name: 4-[(E)-[3-(cyclopentoxy)-4-methoxy-benzylidene]amino]-6-methyl-3-(3-pyridylmethylthio)-1,2,4-triazin-5-one Formula: C23H25N5O3S MolecularWeight: 451.5413

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N(C1=O)N=CC2=CC(=C(C=C2)OC)OC3CCCC3)SCC4=CN=CC=C4

Isomeric SMILES

CC1=NN=C(N(C1=O)/N=C/C2=CC(=C(C=C2)OC)OC3CCCC3)SCC4=CN=CC=C4

InChI

InChI=1S/C23H25N5O3S/c1-16-22(29)28(23(27-26-16)32-15-18-6-5-11-24-13-18)25-14-17-9-10-20(30-2)21(12-17)31-19-7-3-4-8-19/h5-6,9-14,19H,3-4,7-8,15H2,1-2H3/b25-14+