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

Systemtic Name: 4-[(4-azanyl-5-tert-butyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-chloranyl-7-ethyl-chromen-2-one Openeye Name: 4-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-chloro-7-ethyl-chromen-2-one CAS Name: 4-[[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)thio]methyl]-6-chloro-7-ethyl-1-benzopyran-2-one IUPAC Name: 4-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-chloro-7-ethylchromen-2-one Traditional Name: 4-[[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)thio]methyl]-6-chloro-7-ethyl-coumarin Formula: C18H21ClN4O2S MolecularWeight: 392.90294

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(N3N)C(C)(C)C)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(N3N)C(C)(C)C)Cl

InChI

InChI=1S/C18H21ClN4O2S/c1-5-10-6-14-12(8-13(10)19)11(7-15(24)25-14)9-26-17-22-21-16(23(17)20)18(2,3)4/h6-8H,5,9,20H2,1-4H3