4-prop-2-enyl-1H-1,2,4-triazole-5-thione; 1-propoxy-4-propyl-benzene

Systemtic Name: 4-prop-2-enyl-1H-1,2,4-triazole-5-thione; 1-propoxy-4-propyl-benzene Openeye Name: 4-allyl-1H-1,2,4-triazole-5-thione; 1-propoxy-4-propyl-benzene CAS Name: 4-prop-2-enyl-1H-1,2,4-triazole-5-thione; 1-propoxy-4-propylbenzene IUPAC Name: 4-prop-2-enyl-1H-1,2,4-triazole-5-thione; 1-propoxy-4-propylbenzene Traditional Name: 4-allyl-1H-1,2,4-triazole-5-thione; 1-propoxy-4-propyl-benzene Formula: C17H25N3OS MolecularWeight: 319.4649

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)OCCC.C=CCN1C=NNC1=S

Isomeric SMILES

CCCC1=CC=C(C=C1)OCCC.C=CCN1C=NNC1=S

InChI

InChI=1S/C12H18O.C5H7N3S/c1-3-5-11-6-8-12(9-7-11)13-10-4-2;1-2-3-8-4-6-7-5(8)9/h6-9H,3-5,10H2,1-2H3;2,4H,1,3H2,(H,7,9)