1-(2H-benzotriazol-5-yl)-3-[4-(methylamino)-3-(2-methylsulfanylprop-2-enyl)phenyl]urea

Systemtic Name: 1-(2H-benzotriazol-5-yl)-3-[4-(methylamino)-3-(2-methylsulfanylprop-2-enyl)phenyl]urea Openeye Name: 1-(2H-benzotriazol-5-yl)-3-[4-(methylamino)-3-(2-methylsulfanylallyl)phenyl]urea CAS Name: 1-(2H-benzotriazol-5-yl)-3-[4-(methylamino)-3-[2-(methylthio)prop-2-enyl]phenyl]urea IUPAC Name: 1-(2H-benzotriazol-5-yl)-3-[4-(methylamino)-3-(2-methylsulfanylprop-2-enyl)phenyl]urea Traditional Name: 1-(2H-benzotriazol-5-yl)-3-[4-(methylamino)-3-[2-(methylthio)allyl]phenyl]urea Formula: C18H20N6OS MolecularWeight: 368.456

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)NC(=O)NC2=CC3=NNN=C3C=C2)CC(=C)SC

Isomeric SMILES

CNC1=C(C=C(C=C1)NC(=O)NC2=CC3=NNN=C3C=C2)CC(=C)SC

InChI

InChI=1S/C18H20N6OS/c1-11(26-3)8-12-9-13(4-6-15(12)19-2)20-18(25)21-14-5-7-16-17(10-14)23-24-22-16/h4-7,9-10,19H,1,8H2,2-3H3,(H2,20,21,25)(H,22,23,24)