N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanamide

Systemtic Name: N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanamide Openeye Name: N-[2-(2-amino-2-oxo-ethyl)sulfanylphenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide CAS Name: N-[2-[(2-amino-2-oxoethyl)thio]phenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide IUPAC Name: N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide Traditional Name: N-[2-[(2-amino-2-keto-ethyl)thio]phenyl]-3-(4-keto-1,2,3-benzotriazin-3-yl)propionamide Formula: C18H17N5O3S MolecularWeight: 383.42428

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)CCC(=O)NC3=CC=CC=C3SCC(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)CCC(=O)NC3=CC=CC=C3SCC(=O)N

InChI

InChI=1S/C18H17N5O3S/c19-16(24)11-27-15-8-4-3-7-14(15)20-17(25)9-10-23-18(26)12-5-1-2-6-13(12)21-22-23/h1-8H,9-11H2,(H2,19,24)(H,20,25)