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

Systemtic Name: 4-[[4-azanyl-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-chromen-2-one Openeye Name: 4-[[4-amino-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 4-[[[4-amino-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]thio]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[4-amino-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methylchromen-2-one Traditional Name: 4-[[(4-amino-5-p-anisyl-1,2,4-triazol-3-yl)thio]methyl]-7-methyl-coumarin Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3N)CC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3N)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C21H20N4O3S/c1-13-3-8-17-15(11-20(26)28-18(17)9-13)12-29-21-24-23-19(25(21)22)10-14-4-6-16(27-2)7-5-14/h3-9,11H,10,12,22H2,1-2H3