5-chloranylbicyclo[4.1.0]hepta-1(6),2,4-trien-7-one; [4-(5-ethylthiophen-2-yl)-5-methyl-1,2,4-triazol-3-yl]methanol

Systemtic Name: 5-chloranylbicyclo[4.1.0]hepta-1(6),2,4-trien-7-one; [4-(5-ethylthiophen-2-yl)-5-methyl-1,2,4-triazol-3-yl]methanol Openeye Name: 5-chlorobicyclo[4.1.0]hepta-1(6),2,4-trien-7-one; [4-(5-ethyl-2-thienyl)-5-methyl-1,2,4-triazol-3-yl]methanol CAS Name: 5-chloro-7-bicyclo[4.1.0]hepta-1(6),2,4-trienone; [4-(5-ethyl-2-thiophenyl)-5-methyl-1,2,4-triazol-3-yl]methanol IUPAC Name: 5-chlorobicyclo[4.1.0]hepta-1(6),2,4-trien-7-one; [4-(5-ethylthiophen-2-yl)-5-methyl-1,2,4-triazol-3-yl]methanol Traditional Name: 5-chlorobicyclo[4.1.0]hepta-1(6),2,4-trien-7-one; [4-(5-ethyl-2-thienyl)-5-methyl-1,2,4-triazol-3-yl]methanol Formula: C17H16ClN3O2S MolecularWeight: 361.84584

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)N2C(=NN=C2CO)C.C1=CC2=C(C2=O)C(=C1)Cl

Isomeric SMILES

CCC1=CC=C(S1)N2C(=NN=C2CO)C.C1=CC2=C(C2=O)C(=C1)Cl

InChI

InChI=1S/C10H13N3OS.C7H3ClO/c1-3-8-4-5-10(15-8)13-7(2)11-12-9(13)6-14;8-5-3-1-2-4-6(5)7(4)9/h4-5,14H,3,6H2,1-2H3;1-3H