3-[[4-azanyl-5-(2-methoxy-5-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[[4-azanyl-5-(2-methoxy-5-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[4-amino-5-(2-methoxy-5-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[4-amino-5-(2-methoxy-5-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[4-amino-5-(2-methoxy-5-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[[4-amino-5-(2-methoxy-5-methyl-phenyl)-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-one Formula: C18H17N7O2S MolecularWeight: 395.43828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C2=NN=C(N2N)SCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C2=NN=C(N2N)SCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C18H17N7O2S/c1-11-7-8-15(27-2)13(9-11)16-21-22-18(25(16)19)28-10-24-17(26)12-5-3-4-6-14(12)20-23-24/h3-9H,10,19H2,1-2H3