4-[[4-azanyl-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-chromen-2-one

Systemtic Name: 4-[[4-azanyl-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-chromen-2-one Openeye Name: 4-[[4-amino-5-[(4-isopropylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 4-[[[4-amino-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[4-amino-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methylchromen-2-one Traditional Name: 4-[[[4-amino-5-[(4-isopropylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]-7-methyl-coumarin Formula: C23H24N4O3S MolecularWeight: 436.52666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3N)COC4=CC=C(C=C4)C(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3N)COC4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C23H24N4O3S/c1-14(2)16-5-7-18(8-6-16)29-12-21-25-26-23(27(21)24)31-13-17-11-22(28)30-20-10-15(3)4-9-19(17)20/h4-11,14H,12-13,24H2,1-3H3