6-chloranyl-7-methyl-4-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one

Systemtic Name: 6-chloranyl-7-methyl-4-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one Openeye Name: 6-chloro-7-methyl-4-[[5-[2-(2-thienyl)ethylamino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one CAS Name: 6-chloro-7-methyl-4-[[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-methyl-4-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one Traditional Name: 6-chloro-7-methyl-4-[[[5-[2-(2-thienyl)ethylamino]-1,3,4-thiadiazol-2-yl]thio]methyl]coumarin Formula: C19H16ClN3O2S3 MolecularWeight: 449.99724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(S3)NCCC4=CC=CS4)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(S3)NCCC4=CC=CS4)Cl

InChI

InChI=1S/C19H16ClN3O2S3/c1-11-7-16-14(9-15(11)20)12(8-17(24)25-16)10-27-19-23-22-18(28-19)21-5-4-13-3-2-6-26-13/h2-3,6-9H,4-5,10H2,1H3,(H,21,22)