5-chloranyl-2-[(E)-4-(4-methylpyrimidin-2-yl)sulfanylbut-2-enyl]sulfanyl-1,3-benzothiazole

Systemtic Name: 5-chloranyl-2-[(E)-4-(4-methylpyrimidin-2-yl)sulfanylbut-2-enyl]sulfanyl-1,3-benzothiazole Openeye Name: 5-chloro-2-[(E)-4-(4-methylpyrimidin-2-yl)sulfanylbut-2-enyl]sulfanyl-1,3-benzothiazole CAS Name: 5-chloro-2-[[(E)-4-[(4-methyl-2-pyrimidinyl)thio]but-2-enyl]thio]-1,3-benzothiazole IUPAC Name: 5-chloro-2-[(E)-4-(4-methylpyrimidin-2-yl)sulfanylbut-2-enyl]sulfanyl-1,3-benzothiazole Traditional Name: 5-chloro-2-[[(E)-4-[(4-methylpyrimidin-2-yl)thio]but-2-enyl]thio]-1,3-benzothiazole Formula: C16H14ClN3S3 MolecularWeight: 379.95046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SCC=CCSC2=NC3=C(S2)C=CC(=C3)Cl

Isomeric SMILES

CC1=NC(=NC=C1)SC/C=C/CSC2=NC3=C(S2)C=CC(=C3)Cl

InChI

InChI=1S/C16H14ClN3S3/c1-11-6-7-18-15(19-11)21-8-2-3-9-22-16-20-13-10-12(17)4-5-14(13)23-16/h2-7,10H,8-9H2,1H3/b3-2+