4-prop-2-enyl-3-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-prop-2-enyl-3-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-allyl-3-(4,5,6,7-tetrahydrobenzothiophen-3-yl)-1H-1,2,4-triazole-5-thione CAS Name: 4-prop-2-enyl-3-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-prop-2-enyl-3-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-allyl-3-(4,5,6,7-tetrahydrobenzothiophen-3-yl)-1H-1,2,4-triazole-5-thione Formula: C13H15N3S2 MolecularWeight: 277.4083

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NNC1=S)C2=CSC3=C2CCCC3

Isomeric SMILES

C=CCN1C(=NNC1=S)C2=CSC3=C2CCCC3

InChI

InChI=1S/C13H15N3S2/c1-2-7-16-12(14-15-13(16)17)10-8-18-11-6-4-3-5-9(10)11/h2,8H,1,3-7H2,(H,15,17)