4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methoxy-chromen-2-one

Systemtic Name: 4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methoxy-chromen-2-one Openeye Name: 4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methoxy-chromen-2-one CAS Name: 4-[[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methoxychromen-2-one Traditional Name: 4-[[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-7-methoxy-coumarin Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CC2)SCC3=CC(=O)OC4=C3C=CC(=C4)OC

Isomeric SMILES

CC1=NN=C(N1C2CC2)SCC3=CC(=O)OC4=C3C=CC(=C4)OC

InChI

InChI=1S/C17H17N3O3S/c1-10-18-19-17(20(10)12-3-4-12)24-9-11-7-16(21)23-15-8-13(22-2)5-6-14(11)15/h5-8,12H,3-4,9H2,1-2H3