4-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[[3-methoxy-4-(o-tolylmethoxy)phenyl]methylamino]-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[[3-methoxy-4-(2-methylbenzyl)oxy-benzyl]amino]-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione Formula: C23H23N5O2S MolecularWeight: 433.52602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1COC2=C(C=C(C=C2)CNN3C(=NNC3=S)C4=CC=NC=C4)OC

Isomeric SMILES

CC1=CC=CC=C1COC2=C(C=C(C=C2)CNN3C(=NNC3=S)C4=CC=NC=C4)OC

InChI

InChI=1S/C23H23N5O2S/c1-16-5-3-4-6-19(16)15-30-20-8-7-17(13-21(20)29-2)14-25-28-22(26-27-23(28)31)18-9-11-24-12-10-18/h3-13,25H,14-15H2,1-2H3,(H,27,31)