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

Systemtic Name: 6-chloranyl-7-methyl-4-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one Openeye Name: 6-chloro-4-[[5-(isobutylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 6-chloro-7-methyl-4-[[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-methyl-4-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one Traditional Name: 6-chloro-4-[[[5-(isobutylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-7-methyl-coumarin Formula: C17H18ClN3O2S2 MolecularWeight: 395.92672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN3O2S2/c1-9(2)7-19-16-20-21-17(25-16)24-8-11-5-15(22)23-14-4-10(3)13(18)6-12(11)14/h4-6,9H,7-8H2,1-3H3,(H,19,20)