2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzothiazole

Systemtic Name: 2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzothiazole Openeye Name: 2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzothiazole CAS Name: 2-[[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]-1,3-benzothiazole IUPAC Name: 2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzothiazole Traditional Name: 2-[[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-1,3-benzothiazole Formula: C16H16N4S2 MolecularWeight: 328.45504

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=NC3=CC=CC=C3S2)C4CC4

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=NC3=CC=CC=C3S2)C4CC4

InChI

InChI=1S/C16H16N4S2/c1-2-9-20-15(11-7-8-11)18-19-16(20)21-10-14-17-12-5-3-4-6-13(12)22-14/h2-6,11H,1,7-10H2