4-[(4-azanyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-ethyl-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[(4-azanyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-ethyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-ethyl-7-hydroxy-chromen-2-one CAS Name: 4-[[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]methyl]-6-ethyl-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-ethyl-7-hydroxychromen-2-one Traditional Name: 4-[[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]-6-ethyl-7-hydroxy-coumarin Formula: C18H16N4O3S2 MolecularWeight: 400.47464

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=C(N3N)C4=CC=CS4)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=C(N3N)C4=CC=CS4)O

InChI

InChI=1S/C18H16N4O3S2/c1-2-10-6-12-11(7-16(24)25-14(12)8-13(10)23)9-27-18-21-20-17(22(18)19)15-4-3-5-26-15/h3-8,23H,2,9,19H2,1H3