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

Systemtic Name: 4-[[4-[(3-chlorophenyl)methoxy]-3-methoxy-phenyl]methylamino]-3-ethyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[[4-[(3-chlorophenyl)methoxy]-3-methoxy-phenyl]methylamino]-3-ethyl-1H-1,2,4-triazole-5-thione CAS Name: 4-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-3-ethyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-3-ethyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[[4-(3-chlorobenzyl)oxy-3-methoxy-benzyl]amino]-3-ethyl-1H-1,2,4-triazole-5-thione Formula: C19H21ClN4O2S MolecularWeight: 404.91364

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NNC(=S)N1NCC2=CC(=C(C=C2)OCC3=CC(=CC=C3)Cl)OC

Isomeric SMILES

CCC1=NNC(=S)N1NCC2=CC(=C(C=C2)OCC3=CC(=CC=C3)Cl)OC

InChI

InChI=1S/C19H21ClN4O2S/c1-3-18-22-23-19(27)24(18)21-11-13-7-8-16(17(10-13)25-2)26-12-14-5-4-6-15(20)9-14/h4-10,21H,3,11-12H2,1-2H3,(H,23,27)