1-[2-(benzotriazol-1-ium-2-yl)ethyl]-3-(1,3-thiazol-2-yl)thiourea

Systemtic Name: 1-[2-(benzotriazol-1-ium-2-yl)ethyl]-3-(1,3-thiazol-2-yl)thiourea Openeye Name: 1-[2-(benzotriazol-1-ium-2-yl)ethyl]-3-thiazol-2-yl-thiourea CAS Name: 1-[2-(2-benzotriazol-1-iumyl)ethyl]-3-(2-thiazolyl)thiourea IUPAC Name: 1-[2-(benzotriazol-1-ium-2-yl)ethyl]-3-(1,3-thiazol-2-yl)thiourea Traditional Name: 1-[2-(benzotriazol-1-ium-2-yl)ethyl]-3-thiazol-2-yl-thiourea Formula: C12H13N6S2+ MolecularWeight: 305.40182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=[NH+]N(N=C2C=C1)CCNC(=S)NC3=NC=CS3

Isomeric SMILES

C1=CC2=[NH+]N(N=C2C=C1)CCNC(=S)NC3=NC=CS3

InChI

InChI=1S/C12H12N6S2/c19-11(15-12-14-6-8-20-12)13-5-7-18-16-9-3-1-2-4-10(9)17-18/h1-4,6,8H,5,7H2,(H2,13,14,15,19)/p+1