3-azanyl-8-thiophen-2-yl-1,7,8,9-tetrahydro-1,2,4-benzotriazepin-6-one

Systemtic Name: 3-azanyl-8-thiophen-2-yl-1,7,8,9-tetrahydro-1,2,4-benzotriazepin-6-one Openeye Name: 3-amino-8-(2-thienyl)-1,7,8,9-tetrahydro-1,2,4-benzotriazepin-6-one CAS Name: 3-amino-8-thiophen-2-yl-1,7,8,9-tetrahydro-1,2,4-benzotriazepin-6-one IUPAC Name: 3-amino-8-thiophen-2-yl-1,7,8,9-tetrahydro-1,2,4-benzotriazepin-6-one Traditional Name: 3-amino-8-(2-thienyl)-1,7,8,9-tetrahydro-1,2,4-benzotriazepin-6-one Formula: C12H12N4OS MolecularWeight: 260.31488

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)C2=C1NN=C(N=C2)N)C3=CC=CS3

Isomeric SMILES

C1C(CC(=O)C2=C1NN=C(N=C2)N)C3=CC=CS3

InChI

InChI=1S/C12H12N4OS/c13-12-14-6-8-9(15-16-12)4-7(5-10(8)17)11-2-1-3-18-11/h1-3,6-7,15H,4-5H2,(H2,13,16)