4-[(E)-(3-methoxy-4-phenethyloxy-phenyl)methylideneamino]-3-propan-2-yl-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[(E)-(3-methoxy-4-phenethyloxy-phenyl)methylideneamino]-3-propan-2-yl-1H-1,2,4-triazole-5-thione Openeye Name: 3-isopropyl-4-[(E)-(3-methoxy-4-phenethyloxy-phenyl)methyleneamino]-1H-1,2,4-triazole-5-thione CAS Name: 4-[(E)-(3-methoxy-4-phenethyloxyphenyl)methylideneamino]-3-propan-2-yl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(E)-(3-methoxy-4-phenethyloxyphenyl)methylideneamino]-3-propan-2-yl-1H-1,2,4-triazole-5-thione Traditional Name: 3-isopropyl-4-[(E)-(3-methoxy-4-phenethyloxy-benzylidene)amino]-1H-1,2,4-triazole-5-thione Formula: C21H24N4O2S MolecularWeight: 396.50586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NNC(=S)N1N=CC2=CC(=C(C=C2)OCCC3=CC=CC=C3)OC

Isomeric SMILES

CC(C)C1=NNC(=S)N1/N=C/C2=CC(=C(C=C2)OCCC3=CC=CC=C3)OC

InChI

InChI=1S/C21H24N4O2S/c1-15(2)20-23-24-21(28)25(20)22-14-17-9-10-18(19(13-17)26-3)27-12-11-16-7-5-4-6-8-16/h4-10,13-15H,11-12H2,1-3H3,(H,24,28)/b22-14+