4-[(5-azanylidene-1-thia-3-aza-4-azanidacyclopent-2-en-2-yl)sulfanylmethyl]-7-ethyl-chromen-2-one

Systemtic Name: 4-[(5-azanylidene-1-thia-3-aza-4-azanidacyclopent-2-en-2-yl)sulfanylmethyl]-7-ethyl-chromen-2-one Openeye Name: 7-ethyl-4-[(5-imino-1-thia-3-aza-4-azanidacyclopent-2-en-2-yl)sulfanylmethyl]chromen-2-one CAS Name: 7-ethyl-4-[[(5-imino-1-thia-3-aza-4-azanidacyclopent-2-en-2-yl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-ethyl-4-[(5-imino-1-thia-3-aza-4-azanidacyclopent-2-en-2-yl)sulfanylmethyl]chromen-2-one Traditional Name: 7-ethyl-4-[[(5-imino-1-thia-3-aza-4-azanidacyclopent-2-en-2-yl)thio]methyl]coumarin Formula: C14H12N3O2S2- MolecularWeight: 318.39398

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=N[N-]C(=N)S3

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=N[N-]C(=N)S3

InChI

InChI=1S/C14H12N3O2S2/c1-2-8-3-4-10-9(6-12(18)19-11(10)5-8)7-20-14-17-16-13(15)21-14/h3-6H,2,7H2,1H3,(H-,15,16)/q-1