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

Systemtic Name: 3-butyl-4-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione Openeye Name: 3-butyl-4-[[2-[(4-chlorophenyl)methoxy]phenyl]methyleneamino]-1H-1,2,4-triazole-5-thione CAS Name: 3-butyl-4-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-butyl-4-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione Traditional Name: 3-butyl-4-[[2-(4-chlorobenzyl)oxybenzylidene]amino]-1H-1,2,4-triazole-5-thione Formula: C20H21ClN4OS MolecularWeight: 400.92494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NNC(=S)N1N=CC2=CC=CC=C2OCC3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCC1=NNC(=S)N1N=CC2=CC=CC=C2OCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H21ClN4OS/c1-2-3-8-19-23-24-20(27)25(19)22-13-16-6-4-5-7-18(16)26-14-15-9-11-17(21)12-10-15/h4-7,9-13H,2-3,8,14H2,1H3,(H,24,27)