3-azanyl-1-[1-[4-(benzotriazol-2-yl)-3-oxidanyl-phenyl]sulfinylbutyl]-1-methyl-urea

Systemtic Name: 3-azanyl-1-[1-[4-(benzotriazol-2-yl)-3-oxidanyl-phenyl]sulfinylbutyl]-1-methyl-urea Openeye Name: 3-amino-1-[1-[4-(benzotriazol-2-yl)-3-hydroxy-phenyl]sulfinylbutyl]-1-methyl-urea CAS Name: 3-amino-1-[1-[4-(2-benzotriazolyl)-3-hydroxyphenyl]sulfinylbutyl]-1-methylurea IUPAC Name: 3-amino-1-[1-[4-(benzotriazol-2-yl)-3-hydroxyphenyl]sulfinylbutyl]-1-methylurea Traditional Name: 3-amino-1-[1-[4-(benzotriazol-2-yl)-3-hydroxy-phenyl]sulfinylbutyl]-1-methyl-urea Formula: C18H22N6O3S MolecularWeight: 402.47068

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(N(C)C(=O)NN)S(=O)C1=CC(=C(C=C1)N2N=C3C=CC=CC3=N2)O

Isomeric SMILES

CCCC(N(C)C(=O)NN)S(=O)C1=CC(=C(C=C1)N2N=C3C=CC=CC3=N2)O

InChI

InChI=1S/C18H22N6O3S/c1-3-6-17(23(2)18(26)20-19)28(27)12-9-10-15(16(25)11-12)24-21-13-7-4-5-8-14(13)22-24/h4-5,7-11,17,25H,3,6,19H2,1-2H3,(H,20,26)