7-methyl-6-propan-2-yl-4-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one

Systemtic Name: 7-methyl-6-propan-2-yl-4-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Openeye Name: 6-isopropyl-7-methyl-4-[[4-[2-(2-thienyl)ethyl]-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-methyl-6-propan-2-yl-4-[[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-methyl-6-propan-2-yl-4-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Traditional Name: 6-isopropyl-7-methyl-4-[[[4-[2-(2-thienyl)ethyl]-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C22H23N3O2S2 MolecularWeight: 425.56692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=CN3CCC4=CC=CS4)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=CN3CCC4=CC=CS4)C(C)C

InChI

InChI=1S/C22H23N3O2S2/c1-14(2)18-11-19-16(10-21(26)27-20(19)9-15(18)3)12-29-22-24-23-13-25(22)7-6-17-5-4-8-28-17/h4-5,8-11,13-14H,6-7,12H2,1-3H3