(phenylmethyl) N-[1-(benzotriazol-1-yl)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[1-(benzotriazol-1-yl)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: benzyl N-[1-(benzotriazole-1-carbonyl)-3-methylsulfanyl-propyl]carbamate CAS Name: N-[1-(1-benzotriazolyl)-4-(methylthio)-1-oxobutan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-(benzotriazol-1-yl)-4-methylsulfanyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[1-(benzotriazole-1-carbonyl)-3-(methylthio)propyl]carbamic acid benzyl ester Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1C2=CC=CC=C2N=N1)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)N1C2=CC=CC=C2N=N1)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C19H20N4O3S/c1-27-12-11-16(20-19(25)26-13-14-7-3-2-4-8-14)18(24)23-17-10-6-5-9-15(17)21-22-23/h2-10,16H,11-13H2,1H3,(H,20,25)