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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NNC(=S)N1N=CC2=CC(=C(C=C2)OCCC3=CC=CC=C3)OC

Isomeric SMILES

CCCC1=NNC(=S)N1/N=C/C2=CC(=C(C=C2)OCCC3=CC=CC=C3)OC

InChI

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