1-(2-chloranyl-3-isothiocyanato-propyl)-4-methyl-benzene

Systemtic Name: 1-(2-chloranyl-3-isothiocyanato-propyl)-4-methyl-benzene Openeye Name: 1-(2-chloro-3-isothiocyanato-propyl)-4-methyl-benzene CAS Name: 1-(2-chloro-3-isothiocyanatopropyl)-4-methylbenzene IUPAC Name: 1-(2-chloro-3-isothiocyanatopropyl)-4-methylbenzene Traditional Name: 1-(2-chloro-3-isothiocyanato-propyl)-4-methyl-benzene Formula: C11H12ClNS MolecularWeight: 225.73768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(CN=C=S)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CC(CN=C=S)Cl

InChI

InChI=1S/C11H12ClNS/c1-9-2-4-10(5-3-9)6-11(12)7-13-8-14/h2-5,11H,6-7H2,1H3