3-methyl-5,6,7,8-tetrahydroisoquinoline; 2-sulfinylbenzimidazole

Systemtic Name: 3-methyl-5,6,7,8-tetrahydroisoquinoline; 2-sulfinylbenzimidazole Openeye Name: 3-methyl-5,6,7,8-tetrahydroisoquinoline; 2-sulfinylbenzimidazole CAS Name: 3-methyl-5,6,7,8-tetrahydroisoquinoline; 2-sulfinylbenzimidazole IUPAC Name: 3-methyl-5,6,7,8-tetrahydroisoquinoline; 2-sulfinylbenzimidazole Traditional Name: 3-methyl-5,6,7,8-tetrahydroisoquinoline; 2-sulfinylbenzimidazole Formula: C17H17N3OS MolecularWeight: 311.40138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C2CCCCC2=C1.C1=CC2=NC(=S=O)N=C2C=C1

Isomeric SMILES

CC1=NC=C2CCCCC2=C1.C1=CC2=NC(=S=O)N=C2C=C1

InChI

InChI=1S/C10H13N.C7H4N2OS/c1-8-6-9-4-2-3-5-10(9)7-11-8;10-11-7-8-5-3-1-2-4-6(5)9-7/h6-7H,2-5H2,1H3;1-4H