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

Systemtic Name: 4-[(4-azanyl-5-tert-butyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-chloranyl-7-methyl-chromen-2-one Openeye Name: 4-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-chloro-7-methyl-chromen-2-one CAS Name: 4-[[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)thio]methyl]-6-chloro-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-chloro-7-methylchromen-2-one Traditional Name: 4-[[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)thio]methyl]-6-chloro-7-methyl-coumarin Formula: C17H19ClN4O2S MolecularWeight: 378.87636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(N3N)C(C)(C)C)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(N3N)C(C)(C)C)Cl

InChI

InChI=1S/C17H19ClN4O2S/c1-9-5-13-11(7-12(9)18)10(6-14(23)24-13)8-25-16-21-20-15(22(16)19)17(2,3)4/h5-7H,8,19H2,1-4H3