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

Systemtic Name: 4-[[1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-7-methyl-chromen-2-one Openeye Name: 4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 4-[[[1-[(4-methoxyphenyl)methyl]-5-tetrazolyl]thio]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylmethyl]-7-methylchromen-2-one Traditional Name: 7-methyl-4-[[(1-p-anisyltetrazol-5-yl)thio]methyl]coumarin Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=NN3CC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=NN3CC4=CC=C(C=C4)OC

InChI

InChI=1S/C20H18N4O3S/c1-13-3-8-17-15(10-19(25)27-18(17)9-13)12-28-20-21-22-23-24(20)11-14-4-6-16(26-2)7-5-14/h3-10H,11-12H2,1-2H3