4-[(E)-[(4-azanyl-5-methyl-1,2,4-triazol-3-yl)hydrazinylidene]methyl]-7-methoxy-1,3-benzoxathiol-2-one

Systemtic Name: 4-[(E)-[(4-azanyl-5-methyl-1,2,4-triazol-3-yl)hydrazinylidene]methyl]-7-methoxy-1,3-benzoxathiol-2-one Openeye Name: 4-[(E)-[(4-amino-5-methyl-1,2,4-triazol-3-yl)hydrazono]methyl]-7-methoxy-1,3-benzoxathiol-2-one CAS Name: 4-[(E)-[(4-amino-5-methyl-1,2,4-triazol-3-yl)hydrazinylidene]methyl]-7-methoxy-1,3-benzoxathiol-2-one IUPAC Name: 4-[(E)-[(4-amino-5-methyl-1,2,4-triazol-3-yl)hydrazinylidene]methyl]-7-methoxy-1,3-benzoxathiol-2-one Traditional Name: 4-[(E)-[(4-amino-5-methyl-1,2,4-triazol-3-yl)hydrazono]methyl]-7-methoxy-1,3-benzoxathiol-2-one Formula: C12H12N6O3S MolecularWeight: 320.32708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1N)NN=CC2=C3C(=C(C=C2)OC)OC(=O)S3

Isomeric SMILES

CC1=NN=C(N1N)N/N=C/C2=C3C(=C(C=C2)OC)OC(=O)S3

InChI

InChI=1S/C12H12N6O3S/c1-6-15-17-11(18(6)13)16-14-5-7-3-4-8(20-2)9-10(7)22-12(19)21-9/h3-5H,13H2,1-2H3,(H,16,17)/b14-5+