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

Systemtic Name: 7-methoxy-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]-7-methoxy-chromen-2-one CAS Name: 7-methoxy-4-[[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-methoxy-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]-7-methoxy-coumarin Formula: C16H15N3O3S2 MolecularWeight: 361.4386

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(S3)NCC=C

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(S3)NCC=C

InChI

InChI=1S/C16H15N3O3S2/c1-3-6-17-15-18-19-16(24-15)23-9-10-7-14(20)22-13-8-11(21-2)4-5-12(10)13/h3-5,7-8H,1,6,9H2,2H3,(H,17,18)