5-[(3-chloranyl-4-propan-2-yloxy-phenyl)methyl]-2-(morpholin-4-ylmethyl)-4-prop-2-enyl-1,2,4-triazole-3-thione

Systemtic Name: 5-[(3-chloranyl-4-propan-2-yloxy-phenyl)methyl]-2-(morpholin-4-ylmethyl)-4-prop-2-enyl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-5-[(3-chloro-4-isopropoxy-phenyl)methyl]-2-(morpholinomethyl)-1,2,4-triazole-3-thione CAS Name: 5-[(3-chloro-4-propan-2-yloxyphenyl)methyl]-2-(4-morpholinylmethyl)-4-prop-2-enyl-1,2,4-triazole-3-thione IUPAC Name: 5-[(3-chloro-4-propan-2-yloxyphenyl)methyl]-2-(morpholin-4-ylmethyl)-4-prop-2-enyl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-5-(3-chloro-4-isopropoxy-benzyl)-2-(morpholinomethyl)-1,2,4-triazole-3-thione Formula: C20H27ClN4O2S MolecularWeight: 422.97198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)CC2=NN(C(=S)N2CC=C)CN3CCOCC3)Cl

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)CC2=NN(C(=S)N2CC=C)CN3CCOCC3)Cl

InChI

InChI=1S/C20H27ClN4O2S/c1-4-7-24-19(13-16-5-6-18(17(21)12-16)27-15(2)3)22-25(20(24)28)14-23-8-10-26-11-9-23/h4-6,12,15H,1,7-11,13-14H2,2-3H3