3-[[3-chloranyl-4-(3-methylbutoxy)phenyl]methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[[3-chloranyl-4-(3-methylbutoxy)phenyl]methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-allyl-3-[(3-chloro-4-isopentyloxy-phenyl)methyl]-1H-1,2,4-triazole-5-thione CAS Name: 3-[[3-chloro-4-(3-methylbutoxy)phenyl]methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[[3-chloro-4-(3-methylbutoxy)phenyl]methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-allyl-3-(3-chloro-4-isoamoxy-benzyl)-1H-1,2,4-triazole-5-thione Formula: C17H22ClN3OS MolecularWeight: 351.89408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)CC2=NNC(=S)N2CC=C)Cl

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)CC2=NNC(=S)N2CC=C)Cl

InChI

InChI=1S/C17H22ClN3OS/c1-4-8-21-16(19-20-17(21)23)11-13-5-6-15(14(18)10-13)22-9-7-12(2)3/h4-6,10,12H,1,7-9,11H2,2-3H3,(H,20,23)