1-(5-bromanylpyridin-2-yl)-3-[2-(5,6-dimethylbenzotriazol-2-yl)ethyl]thiourea

Systemtic Name: 1-(5-bromanylpyridin-2-yl)-3-[2-(5,6-dimethylbenzotriazol-2-yl)ethyl]thiourea Openeye Name: 1-(5-bromo-2-pyridyl)-3-[2-(5,6-dimethylbenzotriazol-2-yl)ethyl]thiourea CAS Name: 1-(5-bromo-2-pyridinyl)-3-[2-(5,6-dimethyl-2-benzotriazolyl)ethyl]thiourea IUPAC Name: 1-(5-bromopyridin-2-yl)-3-[2-(5,6-dimethylbenzotriazol-2-yl)ethyl]thiourea Traditional Name: 1-(5-bromo-2-pyridyl)-3-[2-(5,6-dimethylbenzotriazol-2-yl)ethyl]thiourea Formula: C16H17BrN6S MolecularWeight: 405.31538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1C)CCNC(=S)NC3=NC=C(C=C3)Br

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1C)CCNC(=S)NC3=NC=C(C=C3)Br

InChI

InChI=1S/C16H17BrN6S/c1-10-7-13-14(8-11(10)2)22-23(21-13)6-5-18-16(24)20-15-4-3-12(17)9-19-15/h3-4,7-9H,5-6H2,1-2H3,(H2,18,19,20,24)