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

Systemtic Name: 6-chloranyl-7-methyl-4-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one Openeye Name: 4-[[5-(allylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-6-chloro-7-methyl-chromen-2-one CAS Name: 6-chloro-7-methyl-4-[[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-methyl-4-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one Traditional Name: 4-[[[5-(allylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-6-chloro-7-methyl-coumarin Formula: C16H14ClN3O2S2 MolecularWeight: 379.88426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClN3O2S2/c1-3-4-18-15-19-20-16(24-15)23-8-10-6-14(21)22-13-5-9(2)12(17)7-11(10)13/h3,5-7H,1,4,8H2,2H3,(H,18,19)