9-nitro-1-prop-2-ynyl-3,4-dihydro-2H-[1]benzothiolo[3,2-e][1,4]diazepin-5-one

Systemtic Name: 9-nitro-1-prop-2-ynyl-3,4-dihydro-2H-[1]benzothiolo[3,2-e][1,4]diazepin-5-one Openeye Name: 9-nitro-1-prop-2-ynyl-3,4-dihydro-2H-benzothiopheno[3,2-e][1,4]diazepin-5-one CAS Name: 9-nitro-1-prop-2-ynyl-3,4-dihydro-2H-[1]benzothiolo[3,2-e][1,4]diazepin-5-one IUPAC Name: 9-nitro-1-prop-2-ynyl-3,4-dihydro-2H-[1]benzothiolo[3,2-e][1,4]diazepin-5-one Traditional Name: 9-nitro-1-propargyl-3,4-dihydro-2H-benzothiopheno[3,2-e][1,4]diazepin-5-one Formula: C14H11N3O3S MolecularWeight: 301.32044

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1CCNC(=O)C2=C1C3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C#CCN1CCNC(=O)C2=C1C3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H11N3O3S/c1-2-6-16-7-5-15-14(18)13-12(16)10-8-9(17(19)20)3-4-11(10)21-13/h1,3-4,8H,5-7H2,(H,15,18)