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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NNC(=S)N1N=CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC

Isomeric SMILES

CCCCC1=NNC(=S)N1/N=C/C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C21H24N4O2S/c1-3-4-10-20-23-24-21(28)25(20)22-14-17-11-12-18(19(13-17)26-2)27-15-16-8-6-5-7-9-16/h5-9,11-14H,3-4,10,15H2,1-2H3,(H,24,28)/b22-14+