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

Systemtic Name: 4-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-chloranyl-7-methyl-chromen-2-one Openeye Name: 4-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-chloro-7-methyl-chromen-2-one CAS Name: 4-[[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-6-chloro-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-chloro-7-methylchromen-2-one Traditional Name: 4-[[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-6-chloro-7-methyl-coumarin Formula: C16H15ClN4O2S MolecularWeight: 362.8339

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(N3N)C4CC4)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(N3N)C4CC4)Cl

InChI

InChI=1S/C16H15ClN4O2S/c1-8-4-13-11(6-12(8)17)10(5-14(22)23-13)7-24-16-20-19-15(21(16)18)9-2-3-9/h4-6,9H,2-3,7,18H2,1H3